N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide

C19H23ClN4O5S2 — CID 39898875

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H23ClN4O5S2/c1-13-6-7-15(22-19(25)14-8-10-24(11-9-14)31(21,28)29)12-18(13)30(26,27)23-17-5-3-2-4-16(17)20/h2-7,12,14,23H,8-11H2,1H3,(H,22,25)(H2,21,28,29)
InChIKeyCGIVUTJNYSOCNL-UHFFFAOYSA-N
MW487.00 g/mol
LogP2.30
Rot. Bonds6

About N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide (PubChem CID 39898875) has the molecular formula C19H23ClN4O5S2 and a molecular weight of 487.00 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide
PubChem CID39898875
Molecular FormulaC19H23ClN4O5S2
Molecular Weight487.00 g/mol
Exact Mass486.08
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H23ClN4O5S2/c1-13-6-7-15(22-19(25)14-8-10-24(11-9-14)31(21,28)29)12-18(13)30(26,27)23-17-5-3-2-4-16(17)20/h2-7,12,14,23H,8-11H2,1H3,(H,22,25)(H2,21,28,29)
InChIKeyCGIVUTJNYSOCNL-UHFFFAOYSA-N
XLogP2.30
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.00
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide
CID 39899026
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylsulfanylacetamide
CID 9243850
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 55787135
1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 1326765
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
CID 9243824
(2R)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbutanamide
CID 35560710
4-N-(4-methyl-3-sulfamoylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 55363749
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]hexanamide
CID 38019848
1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 50875261
N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000
N-(3,4-dimethylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915423
N-(2-chlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 21372919

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide (CID 39898875) is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide?
The InChIKey is CGIVUTJNYSOCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O5S2/c1-13-6-7-15(22-19(25)14-8-10-24(11-9-14)31(21,28)29)12-18(13)30(26,27)23-17-5-3-2-4-16(17)20/h2-7,12,14,23H,8-11H2,1H3,(H,22,25)(H2,21,28,29).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide?
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide has a molecular weight of 487.00 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide is sourced from PubChem (CID 39898875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).