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

C19H23ClN4O5S2 — CID 39899026

IUPACN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H23ClN4O5S2/c1-13-5-6-16(22-19(25)14-7-9-24(10-8-14)31(21,28)29)12-18(13)30(26,27)23-17-4-2-3-15(20)11-17/h2-6,11-12,14,23H,7-10H2,1H3,(H,22,25)(H2,21,28,29)
InChIKeyHAGSQTWUXWTVJC-UHFFFAOYSA-N
MW487.00 g/mol
LogP2.30
Rot. Bonds6

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

N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide (PubChem CID 39899026) has the molecular formula C19H23ClN4O5S2 and a molecular weight of 487.00 g/mol. Its IUPAC name is N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide
PubChem CID39899026
Molecular FormulaC19H23ClN4O5S2
Molecular Weight487.00 g/mol
Exact Mass486.08
IUPAC NameN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H23ClN4O5S2/c1-13-5-6-16(22-19(25)14-7-9-24(10-8-14)31(21,28)29)12-18(13)30(26,27)23-17-4-2-3-15(20)11-17/h2-6,11-12,14,23H,7-10H2,1H3,(H,22,25)(H2,21,28,29)
InChIKeyHAGSQTWUXWTVJC-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-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide
CID 39898875
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 46489197
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide
CID 119675111
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263693
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
CID 9243824
N-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 30805403
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbenzamide
CID 26774127
N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26979177
N-[5-[(5-chloro-2-methylphenyl)sulfonylamino]-2-fluorophenyl]cyclopropanecarboxamide
CID 38892389
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-6-methylpyridine-3-carboxamide
CID 38020627
3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119730952
4-N-(4-methyl-3-sulfamoylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 55363749

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide?
The IUPAC name of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide (CID 39899026) is N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1S(=O)(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide?
The InChIKey is HAGSQTWUXWTVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O5S2/c1-13-5-6-16(22-19(25)14-7-9-24(10-8-14)31(21,28)29)12-18(13)30(26,27)23-17-4-2-3-15(20)11-17/h2-6,11-12,14,23H,7-10H2,1H3,(H,22,25)(H2,21,28,29).
What are the key properties of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide?
N-[3-[(3-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-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide is sourced from PubChem (CID 39899026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).