5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide

C14H20ClNO3S — CID 100566408

IUPAC5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C14H20ClNO3S/c1-19-13-8-7-12(15)9-14(13)20(17,18)16-10-11-5-3-2-4-6-11/h7-9,11,16H,2-6,10H2,1H3
InChIKeyXPWLBZROJCYUTN-UHFFFAOYSA-N
MW317.84 g/mol
LogP3.21
Rot. Bonds5

About 5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide

5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide (PubChem CID 100566408) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide
PubChem CID100566408
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C14H20ClNO3S/c1-19-13-8-7-12(15)9-14(13)20(17,18)16-10-11-5-3-2-4-6-11/h7-9,11,16H,2-6,10H2,1H3
InChIKeyXPWLBZROJCYUTN-UHFFFAOYSA-N
XLogP3.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 142023630
trans-(1S,2R)-2-[[(5-chloro-2-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 108781400
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924
5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline
CID 43079026
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
CID 110672576
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 110287793
3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid
CID 28511770
CID 70601990
CID 70601990

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide (CID 100566408) is 5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCC1CCCCC1.
What is the InChIKey of 5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide?
The InChIKey is XPWLBZROJCYUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-19-13-8-7-12(15)9-14(13)20(17,18)16-10-11-5-3-2-4-6-11/h7-9,11,16H,2-6,10H2,1H3.
What are the key properties of 5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide?
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide has a molecular weight of 317.84 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 100566408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).