4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide

C17H21ClN4O3S — CID 120776924

IUPAC4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCNCC2c2cccc(Cl)c2)cn1C
InChIInChI=1S/C17H21ClN4O3S/c1-19-17(23)15-9-14(11-21(15)2)26(24,25)22-7-6-20-10-16(22)12-4-3-5-13(18)8-12/h3-5,8-9,11,16,20H,6-7,10H2,1-2H3,(H,19,23)
InChIKeyQKQMTQUPQPFEMQ-UHFFFAOYSA-N
MW396.90 g/mol
LogP1.37
Rot. Bonds4

About 4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide

4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 120776924) has the molecular formula C17H21ClN4O3S and a molecular weight of 396.90 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide
PubChem CID120776924
Molecular FormulaC17H21ClN4O3S
Molecular Weight396.90 g/mol
Exact Mass396.10
IUPAC Name4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCNCC2c2cccc(Cl)c2)cn1C
InChIInChI=1S/C17H21ClN4O3S/c1-19-17(23)15-9-14(11-21(15)2)26(24,25)22-7-6-20-10-16(22)12-4-3-5-13(18)8-12/h3-5,8-9,11,16,20H,6-7,10H2,1-2H3,(H,19,23)
InChIKeyQKQMTQUPQPFEMQ-UHFFFAOYSA-N
XLogP1.37
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120764946
1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine
CID 120776858
methyl 4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate;hydrochloride
CID 120777003
5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 120776788
5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide
CID 120776834
methyl 1-methyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylpyrrole-2-carboxylate;hydrochloride
CID 120764221
N,1-dimethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxamide
CID 43362225
2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine
CID 120776752
2-(3-chlorophenyl)-1-(4-methyl-3-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 120776785
methyl 4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-carboxylate
CID 120776778
2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride
CID 120777039
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide (CID 120776924) is 4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)N2CCNCC2c2cccc(Cl)c2)cn1C.
What is the InChIKey of 4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is QKQMTQUPQPFEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3S/c1-19-17(23)15-9-14(11-21(15)2)26(24,25)22-7-6-20-10-16(22)12-4-3-5-13(18)8-12/h3-5,8-9,11,16,20H,6-7,10H2,1-2H3,(H,19,23).
What are the key properties of 4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide?
4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 396.90 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 120776924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).