N-(3-chloro-2-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

C19H24ClN3O3S — CID 20945208

IUPACN-(3-chloro-2-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCc1[nH]c(C)c(S(=O)(=O)Nc2cccc(Cl)c2C)c1C(=O)N1CCCCC1
InChIInChI=1S/C19H24ClN3O3S/c1-12-15(20)8-7-9-16(12)22-27(25,26)18-14(3)21-13(2)17(18)19(24)23-10-5-4-6-11-23/h7-9,21-22H,4-6,10-11H2,1-3H3
InChIKeyZCWOZXVBFHRWDX-UHFFFAOYSA-N
MW409.94 g/mol
LogP4.02
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

N-(3-chloro-2-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 20945208) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID20945208
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC NameN-(3-chloro-2-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCc1[nH]c(C)c(S(=O)(=O)Nc2cccc(Cl)c2C)c1C(=O)N1CCCCC1
InChIInChI=1S/C19H24ClN3O3S/c1-12-15(20)8-7-9-16(12)22-27(25,26)18-14(3)21-13(2)17(18)19(24)23-10-5-4-6-11-23/h7-9,21-22H,4-6,10-11H2,1-3H3
InChIKeyZCWOZXVBFHRWDX-UHFFFAOYSA-N
XLogP4.02
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

SU11274
CID 9549297
N-(3-chloro-4-methylphenyl)-2,5-dimethyl-4-(pyrrolidin-1-ylcarbonyl)-1H-pyrrole-3-sulfonamide
CID 20945088
Met Kinase Inhibitor
CID 53396327
N-(3-chloro-2-methylphenyl)-2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetamide
CID 4247467
1-(4-Chlorophenyl)-4-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-YL]sulfonyl}piperazine
CID 20945050
1-(3-Chlorophenyl)-4-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-YL]sulfonyl}piperazine
CID 20945079
1-{[2,5-Dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-YL]sulfonyl}-4-(2,3-dimethylphenyl)piperazine
CID 20945081
1-{[2,5-Dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-YL]sulfonyl}-4-(2,5-dimethylphenyl)piperazine
CID 20945082
N-(3-chloro-2-methylphenyl)-2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945087
N-Benzyl-2,5-dimethyl-N-(propan-2-YL)-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945101
N-(2-chloro-4-fluorophenyl)-2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945133
N,2,5-trimethyl-N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945137

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 20945208) is N-(3-chloro-2-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is Cc1[nH]c(C)c(S(=O)(=O)Nc2cccc(Cl)c2C)c1C(=O)N1CCCCC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is ZCWOZXVBFHRWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S/c1-12-15(20)8-7-9-16(12)22-27(25,26)18-14(3)21-13(2)17(18)19(24)23-10-5-4-6-11-23/h7-9,21-22H,4-6,10-11H2,1-3H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
N-(3-chloro-2-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 409.94 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 20945208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).