4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate

C20H21N2O5S- — CID 6981857

IUPAC4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate
SMILESO=C([O-])c1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C20H22N2O5S/c23-19(21-16-11-9-14(10-12-16)20(24)25)15-5-4-8-18(13-15)28(26,27)22-17-6-2-1-3-7-17/h4-5,8-13,17,22H,1-3,6-7H2,(H,21,23)(H,24,25)/p-1
InChIKeyNFQXIUJHORYDOH-UHFFFAOYSA-M
MW401.46 g/mol
LogP1.91
Rot. Bonds6

About 4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate

4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate (PubChem CID 6981857) has the molecular formula C20H21N2O5S- and a molecular weight of 401.46 g/mol. Its IUPAC name is 4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Name4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate
PubChem CID6981857
Molecular FormulaC20H21N2O5S-
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC Name4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate
SMILESO=C([O-])c1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C20H22N2O5S/c23-19(21-16-11-9-14(10-12-16)20(24)25)15-5-4-8-18(13-15)28(26,27)22-17-6-2-1-3-7-17/h4-5,8-13,17,22H,1-3,6-7H2,(H,21,23)(H,24,25)/p-1
InChIKeyNFQXIUJHORYDOH-UHFFFAOYSA-M
XLogP1.91
TPSA115.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoic acid
CID 1121769
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide
CID 108808703
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
4-[[3-[(4-iodophenyl)sulfamoyl]benzoyl]amino]benzoate
CID 6968790
sodium 4-(cyclohexylsulfamoyl)benzoate
CID 122705986
3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26718017
3-(cyclopentylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide
CID 30860784
4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide
CID 30858539
3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide
CID 4627509
3-(cyclopentylsulfamoyl)-N-(2-fluorophenyl)benzamide
CID 109063181

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate?
The IUPAC name of 4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate (CID 6981857) is 4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate.
What is the SMILES notation for 4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate?
The canonical SMILES for 4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate is O=C([O-])c1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of 4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate?
The InChIKey is NFQXIUJHORYDOH-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H22N2O5S/c23-19(21-16-11-9-14(10-12-16)20(24)25)15-5-4-8-18(13-15)28(26,27)22-17-6-2-1-3-7-17/h4-5,8-13,17,22H,1-3,6-7H2,(H,21,23)(H,24,25)/p-1.
What are the key properties of 4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate?
4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate has a molecular weight of 401.46 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate is sourced from PubChem (CID 6981857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).