N-[(3S)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[(3R)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide

C66H75Cl3N12O12S3 — CID 167588233

IUPACN-[(3S)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[(3R)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide
SMILESCc1[nH]c(S(=O)(=O)NC2(Cc3ccc(Cl)cc3)CCOC2)cc1C(=O)N1CC(C)(C#N)C1.Cc1[nH]c(S(=O)(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc1C(=O)N1CC(C)(C#N)C1.Cc1[nH]c(S(=O)(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)cc1C(=O)N1CC(C)(C#N)C1
InChIInChI=1S/3C22H25ClN4O4S/c3*1-15-18(20(28)27-12-21(2,11-24)13-27)9-19(25-15)32(29,30)26-22(7-8-31-14-22)10-16-3-5-17(23)6-4-16/h3*3-6,9,25-26H,7-8,10,12-14H2,1-2H3/t2*22-;/m10./s1
InChIKeyIBSARVPMBCPVMB-UNDSNRBDSA-N
MW1430.96 g/mol
LogP7.93
Rot. Bonds18

About N-[(3S)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[(3R)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide

N-[(3S)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[(3R)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide (PubChem CID 167588233) has the molecular formula C66H75Cl3N12O12S3 and a molecular weight of 1430.96 g/mol. Its IUPAC name is N-[(3S)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[(3R)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[(3R)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide
PubChem CID167588233
Molecular FormulaC66H75Cl3N12O12S3
Molecular Weight1430.96 g/mol
Exact Mass1428.39
IUPAC NameN-[(3S)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[(3R)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide
SMILESCc1[nH]c(S(=O)(=O)NC2(Cc3ccc(Cl)cc3)CCOC2)cc1C(=O)N1CC(C)(C#N)C1.Cc1[nH]c(S(=O)(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc1C(=O)N1CC(C)(C#N)C1.Cc1[nH]c(S(=O)(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)cc1C(=O)N1CC(C)(C#N)C1
InChIInChI=1S/3C22H25ClN4O4S/c3*1-15-18(20(28)27-12-21(2,11-24)13-27)9-19(25-15)32(29,30)26-22(7-8-31-14-22)10-16-3-5-17(23)6-4-16/h3*3-6,9,25-26H,7-8,10,12-14H2,1-2H3/t2*22-;/m10./s1
InChIKeyIBSARVPMBCPVMB-UNDSNRBDSA-N
XLogP7.93
TPSA345.87 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001430.96
LogP ≤ 57.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze N-[(3S)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[(3R)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide with MolForge

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Related Compounds

N-[(3S)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide
CID 166007374
N-[(3R)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide
CID 166007416
N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide
CID 166007452

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[(3R)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide?
The IUPAC name of N-[(3S)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[(3R)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide (CID 167588233) is N-[(3S)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[(3R)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide.
What is the SMILES notation for N-[(3S)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[(3R)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide?
The canonical SMILES for N-[(3S)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[(3R)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide is Cc1[nH]c(S(=O)(=O)NC2(Cc3ccc(Cl)cc3)CCOC2)cc1C(=O)N1CC(C)(C#N)C1.Cc1[nH]c(S(=O)(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCOC2)cc1C(=O)N1CC(C)(C#N)C1.Cc1[nH]c(S(=O)(=O)N[C@]2(Cc3ccc(Cl)cc3)CCOC2)cc1C(=O)N1CC(C)(C#N)C1.
What is the InChIKey of N-[(3S)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[(3R)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide?
The InChIKey is IBSARVPMBCPVMB-UNDSNRBDSA-N. The full InChI is InChI=1S/3C22H25ClN4O4S/c3*1-15-18(20(28)27-12-21(2,11-24)13-27)9-19(25-15)32(29,30)26-22(7-8-31-14-22)10-16-3-5-17(23)6-4-16/h3*3-6,9,25-26H,7-8,10,12-14H2,1-2H3/t2*22-;/m10./s1.
What are the key properties of N-[(3S)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[(3R)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide?
N-[(3S)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[(3R)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide has a molecular weight of 1430.96 g/mol, XLogP of 7.93, 18 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[(3R)-3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide;N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide is sourced from PubChem (CID 167588233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).