4-[(2-chloro-5-propan-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid

C16H22ClNO4S — CID 120968698

IUPAC4-[(2-chloro-5-propan-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCC(C)c1ccc(Cl)c(S(=O)(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C16H22ClNO4S/c1-10(2)12-5-8-14(17)15(9-12)23(21,22)18-13-6-3-11(4-7-13)16(19)20/h5,8-11,13,18H,3-4,6-7H2,1-2H3,(H,19,20)
InChIKeyDZABXMMWLSPMDU-UHFFFAOYSA-N
MW359.88 g/mol
LogP3.39
Rot. Bonds5

About 4-[(2-chloro-5-propan-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid

4-[(2-chloro-5-propan-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 120968698) has the molecular formula C16H22ClNO4S and a molecular weight of 359.88 g/mol. Its IUPAC name is 4-[(2-chloro-5-propan-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-chloro-5-propan-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID120968698
Molecular FormulaC16H22ClNO4S
Molecular Weight359.88 g/mol
Exact Mass359.10
IUPAC Name4-[(2-chloro-5-propan-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCC(C)c1ccc(Cl)c(S(=O)(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C16H22ClNO4S/c1-10(2)12-5-8-14(17)15(9-12)23(21,22)18-13-6-3-11(4-7-13)16(19)20/h5,8-11,13,18H,3-4,6-7H2,1-2H3,(H,19,20)
InChIKeyDZABXMMWLSPMDU-UHFFFAOYSA-N
XLogP3.39
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808405
methyl 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 32917957
2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111068
4-[(6-chloro-2,3-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071127
methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate
CID 35294285
4-[[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 120782359
cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321490
4-[(2-chloro-5-propan-2-ylphenyl)sulfonylamino]butanoic acid
CID 120968663
4-chloro-3-(cyclopropylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 25493625
4-chloro-3-(cyclopropylsulfamoyl)benzenecarbothioamide
CID 80704050
propan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate
CID 46574592
methyl 4-chloro-3-(piperidin-4-ylsulfamoyl)benzoate
CID 43603231

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-propan-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-chloro-5-propan-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid (CID 120968698) is 4-[(2-chloro-5-propan-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-chloro-5-propan-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-chloro-5-propan-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid is CC(C)c1ccc(Cl)c(S(=O)(=O)NC2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[(2-chloro-5-propan-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is DZABXMMWLSPMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO4S/c1-10(2)12-5-8-14(17)15(9-12)23(21,22)18-13-6-3-11(4-7-13)16(19)20/h5,8-11,13,18H,3-4,6-7H2,1-2H3,(H,19,20).
What are the key properties of 4-[(2-chloro-5-propan-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid?
4-[(2-chloro-5-propan-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 359.88 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-propan-2-ylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120968698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).