2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide

C15H21ClN2O3S — CID 112990970

IUPAC2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide
SMILESCc1cc(S(=O)(=O)NCC(=O)NC2CCCCC2)ccc1Cl
InChIInChI=1S/C15H21ClN2O3S/c1-11-9-13(7-8-14(11)16)22(20,21)17-10-15(19)18-12-5-3-2-4-6-12/h7-9,12,17H,2-6,10H2,1H3,(H,18,19)
InChIKeyTXAKPEWWYRIKFR-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.38
Rot. Bonds5

About 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide

2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide (PubChem CID 112990970) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide
PubChem CID112990970
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide
SMILESCc1cc(S(=O)(=O)NCC(=O)NC2CCCCC2)ccc1Cl
InChIInChI=1S/C15H21ClN2O3S/c1-11-9-13(7-8-14(11)16)22(20,21)17-10-15(19)18-12-5-3-2-4-6-12/h7-9,12,17H,2-6,10H2,1H3,(H,18,19)
InChIKeyTXAKPEWWYRIKFR-UHFFFAOYSA-N
XLogP2.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112995022
2-[[4-(aminomethyl)-3-methylphenyl]sulfonylamino]-N-cyclopropylacetamide
CID 106919161
N-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide
CID 112999779
N-cyclopentyl-2-[(3-fluorophenyl)sulfonylamino]acetamide
CID 154858378
4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 112990867
N-cyclohexyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 110285141
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
CID 43401368
N-cyclohexyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]acetamide
CID 71683883
3-chloro-4-[[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 136531118
N-cycloheptyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]acetamide
CID 112995017
N-(4-tert-butylphenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide
CID 112997620
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 112992700

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide?
The IUPAC name of 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide (CID 112990970) is 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide is Cc1cc(S(=O)(=O)NCC(=O)NC2CCCCC2)ccc1Cl.
What is the InChIKey of 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide?
The InChIKey is TXAKPEWWYRIKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-11-9-13(7-8-14(11)16)22(20,21)17-10-15(19)18-12-5-3-2-4-6-12/h7-9,12,17H,2-6,10H2,1H3,(H,18,19).
What are the key properties of 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide?
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide has a molecular weight of 344.86 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-cyclohexylacetamide is sourced from PubChem (CID 112990970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).