N-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C22H23ClN4O4S — CID 3237312

IUPACN-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H23ClN4O4S/c1-15-21(16(2)31-24-15)32(29,30)25-19-7-3-17(4-8-19)22(28)27-13-11-26(12-14-27)20-9-5-18(23)6-10-20/h3-10,25H,11-14H2,1-2H3
InChIKeyQLPNSMOQPWPYDV-UHFFFAOYSA-N
MW474.97 g/mol
LogP3.71
Rot. Bonds5

About N-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 3237312) has the molecular formula C22H23ClN4O4S and a molecular weight of 474.97 g/mol. Its IUPAC name is N-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID3237312
Molecular FormulaC22H23ClN4O4S
Molecular Weight474.97 g/mol
Exact Mass474.11
IUPAC NameN-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H23ClN4O4S/c1-15-21(16(2)31-24-15)32(29,30)25-19-7-3-17(4-8-19)22(28)27-13-11-26(12-14-27)20-9-5-18(23)6-10-20/h3-10,25H,11-14H2,1-2H3
InChIKeyQLPNSMOQPWPYDV-UHFFFAOYSA-N
XLogP3.71
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Chlorophenyl)-4-({1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidin-4-yl}carbonyl)piperazine
CID 3236160
1-(4-Chlorophenyl)-4-({1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidin-4-yl}carbonyl)piperazine
CID 3240304
N-[(2-chlorophenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 20855570
N-(5-chloro-2-methylphenyl)-1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3237633
4-{[(3,5-dimethylisoxazol-4-yl)sulfonyl]amino}-N-(3-ethylphenyl)benzamide
CID 3237962
4-{[(3,5-dimethylisoxazol-4-yl)sulfonyl]amino}-N-(3,4-dimethylphenyl)benzamide
CID 3240782
4-{[(3,5-dimethylisoxazol-4-yl)sulfonyl]amino}-N-(2-phenylethyl)benzamide
CID 3241358
N-(4-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]carbonyl}phenyl)-3,5-dimethylisoxazole-4-sulfonamide
CID 3243479
N~1~-(3-chloro-4-fluorophenyl)-N~2~-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N~2~-(4-methylphenyl)glycinamide
CID 3245928
N-(4-chlorobenzyl)-1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-3-carboxamide
CID 5771296
1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide
CID 5771318
N-(2-chlorobenzyl)-1-({5-[(E)-2-(dimethylamino)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-3-carboxamide
CID 5771399

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 3237312) is N-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is QLPNSMOQPWPYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O4S/c1-15-21(16(2)31-24-15)32(29,30)25-19-7-3-17(4-8-19)22(28)27-13-11-26(12-14-27)20-9-5-18(23)6-10-20/h3-10,25H,11-14H2,1-2H3.
What are the key properties of N-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 474.97 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 3237312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).