N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexanecarboxamide

C20H24N2O3S — CID 142837148

IUPACN-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexanecarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C20H24N2O3S/c21-26(24,25)19-9-5-4-8-18(19)16-12-10-15(11-13-16)14-22-20(23)17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14H2,(H,22,23)(H2,21,24,25)
InChIKeyMMWDIMHFHXPQSK-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.20
Rot. Bonds5

About N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexanecarboxamide

N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexanecarboxamide (PubChem CID 142837148) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexanecarboxamide
PubChem CID142837148
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexanecarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C20H24N2O3S/c21-26(24,25)19-9-5-4-8-18(19)16-12-10-15(11-13-16)14-22-20(23)17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14H2,(H,22,23)(H2,21,24,25)
InChIKeyMMWDIMHFHXPQSK-UHFFFAOYSA-N
XLogP3.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-N-[(2-chlorophenyl)methyl]-1-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexane-1,2-dicarboxamide
CID 142837085
trans-(1R,2R)-2-N-[(4-methylphenyl)methyl]-1-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 10413839
(1R)-1-N-[(4-bromophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 142837017
N-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentanecarboxamide
CID 142837201
2-N-[[4-(2-methylphenyl)phenyl]methyl]-1-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 75009757
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657
1-N-[(4-phenoxyphenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 142836975
trans-(1R,2R)-1-N-[(4-nitrophenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 10098683
trans-(1R,2R)-N-benzyl-2-[3-[4-(2-sulfamoylphenyl)phenyl]propanoyl]cyclopentane-1-carboxamide
CID 58290809
1-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 162579334
N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentanecarboxamide;N-[1-[5-[(1E,3Z)-4-sulfanylbuta-1,3-dienyl]thiophen-2-yl]ethyl]formamide
CID 142837087
trans-(1R,2R)-1-N-[(3-methoxyphenyl)methyl]-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 142837082

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexanecarboxamide (CID 142837148) is N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexanecarboxamide is NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexanecarboxamide?
The InChIKey is MMWDIMHFHXPQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c21-26(24,25)19-9-5-4-8-18(19)16-12-10-15(11-13-16)14-22-20(23)17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14H2,(H,22,23)(H2,21,24,25).
What are the key properties of N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexanecarboxamide?
N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexanecarboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 142837148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).