N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide

C14H21NO4S — CID 64910766

IUPACN-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC1CCCCC1O
InChIInChI=1S/C14H21NO4S/c1-19-13-8-4-5-9-14(13)20(17,18)15-10-11-6-2-3-7-12(11)16/h4-5,8-9,11-12,15-16H,2-3,6-7,10H2,1H3
InChIKeyRWLPVCLQUTYHEG-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.52
Rot. Bonds5

About N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide

N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide (PubChem CID 64910766) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide
PubChem CID64910766
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC1CCCCC1O
InChIInChI=1S/C14H21NO4S/c1-19-13-8-4-5-9-14(13)20(17,18)15-10-11-6-2-3-7-12(11)16/h4-5,8-9,11-12,15-16H,2-3,6-7,10H2,1H3
InChIKeyRWLPVCLQUTYHEG-UHFFFAOYSA-N
XLogP1.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide
CID 64913301
2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913894
5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 64913291
2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720923
2-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972561
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 124513952
N-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 47113517
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
N-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide
CID 115753878
2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913293
trans-(1S,2R)-2-[[(5-chloro-2-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 108781400
N-cyclopentyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 9214466

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide (CID 64910766) is N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NCC1CCCCC1O.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide?
The InChIKey is RWLPVCLQUTYHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-19-13-8-4-5-9-14(13)20(17,18)15-10-11-6-2-3-7-12(11)16/h4-5,8-9,11-12,15-16H,2-3,6-7,10H2,1H3.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide?
N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 64910766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).