3-(cyclohexylsulfamoyl)-4-(ethylamino)benzoic acid

C15H22N2O4S — CID 99988461

IUPAC3-(cyclohexylsulfamoyl)-4-(ethylamino)benzoic acid
SMILESCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C15H22N2O4S/c1-2-16-13-9-8-11(15(18)19)10-14(13)22(20,21)17-12-6-4-3-5-7-12/h8-10,12,16-17H,2-7H2,1H3,(H,18,19)
InChIKeyQHPJTHNQXZPFJS-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.43
Rot. Bonds6

About 3-(cyclohexylsulfamoyl)-4-(ethylamino)benzoic acid

3-(cyclohexylsulfamoyl)-4-(ethylamino)benzoic acid (PubChem CID 99988461) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-(cyclohexylsulfamoyl)-4-(ethylamino)benzoic acid.

Molecular Properties

Compound Name3-(cyclohexylsulfamoyl)-4-(ethylamino)benzoic acid
PubChem CID99988461
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name3-(cyclohexylsulfamoyl)-4-(ethylamino)benzoic acid
SMILESCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C15H22N2O4S/c1-2-16-13-9-8-11(15(18)19)10-14(13)22(20,21)17-12-6-4-3-5-7-12/h8-10,12,16-17H,2-7H2,1H3,(H,18,19)
InChIKeyQHPJTHNQXZPFJS-UHFFFAOYSA-N
XLogP2.43
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S)-butan-2-yl]amino]-3-(cyclopentylsulfamoyl)benzoic acid
CID 99978274
3-(cyclohexylsulfamoyl)-4-[[(2S)-pentan-2-yl]amino]benzoic acid
CID 99978403
3-(cycloheptylsulfamoyl)-4-(2-phenylethylamino)benzoic acid
CID 99978450
3-(cyclopentylsulfamoyl)-4-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
CID 99978317
3-(cycloheptylsulfamoyl)-4-[[(2S)-1-methoxypropan-2-yl]amino]benzoic acid
CID 99978489
3-(cyclopropylsulfamoyl)-4-(3-ethoxypropylamino)benzoic acid
CID 99978240
4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid
CID 79187274
3-[[(2S)-butan-2-yl]sulfamoyl]-4-(cyclohexylamino)benzoic acid
CID 99977841
4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641
3-(butylsulfamoyl)-4-(cyclohexylamino)benzoic acid
CID 99977589
3-(cyclohexylsulfamoyl)-4,5-dimethylbenzoic acid
CID 43080100
4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid
CID 99977473

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylsulfamoyl)-4-(ethylamino)benzoic acid?
The IUPAC name of 3-(cyclohexylsulfamoyl)-4-(ethylamino)benzoic acid (CID 99988461) is 3-(cyclohexylsulfamoyl)-4-(ethylamino)benzoic acid.
What is the SMILES notation for 3-(cyclohexylsulfamoyl)-4-(ethylamino)benzoic acid?
The canonical SMILES for 3-(cyclohexylsulfamoyl)-4-(ethylamino)benzoic acid is CCNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCC1.
What is the InChIKey of 3-(cyclohexylsulfamoyl)-4-(ethylamino)benzoic acid?
The InChIKey is QHPJTHNQXZPFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-2-16-13-9-8-11(15(18)19)10-14(13)22(20,21)17-12-6-4-3-5-7-12/h8-10,12,16-17H,2-7H2,1H3,(H,18,19).
What are the key properties of 3-(cyclohexylsulfamoyl)-4-(ethylamino)benzoic acid?
3-(cyclohexylsulfamoyl)-4-(ethylamino)benzoic acid has a molecular weight of 326.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylsulfamoyl)-4-(ethylamino)benzoic acid is sourced from PubChem (CID 99988461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).