2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide

C13H17Cl2NO3S — CID 64913894

IUPAC2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCCCC1O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO3S/c14-10-5-3-7-12(13(10)15)20(18,19)16-8-9-4-1-2-6-11(9)17/h3,5,7,9,11,16-17H,1-2,4,6,8H2
InChIKeyGDQWTOFANZCRMT-UHFFFAOYSA-N
MW338.26 g/mol
LogP2.82
Rot. Bonds4

About 2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide

2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide (PubChem CID 64913894) has the molecular formula C13H17Cl2NO3S and a molecular weight of 338.26 g/mol. Its IUPAC name is 2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
PubChem CID64913894
Molecular FormulaC13H17Cl2NO3S
Molecular Weight338.26 g/mol
Exact Mass337.03
IUPAC Name2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCCCC1O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO3S/c14-10-5-3-7-12(13(10)15)20(18,19)16-8-9-4-1-2-6-11(9)17/h3,5,7,9,11,16-17H,1-2,4,6,8H2
InChIKeyGDQWTOFANZCRMT-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide
CID 64910766
2,3-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974073
8-chloro-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]quinoline-5-sulfonamide
CID 97013728
N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-methylquinoline-8-sulfonamide
CID 97244895
3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106546349
3-amino-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103051627
5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 64913291
2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913293
5,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 64911363
2,5-dibromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzenesulfonamide
CID 81319336
3-amino-5-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylbenzenesulfonamide
CID 114379842
5-bromo-N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide
CID 64913301

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide (CID 64913894) is 2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide is O=S(=O)(NCC1CCCCC1O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide?
The InChIKey is GDQWTOFANZCRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3S/c14-10-5-3-7-12(13(10)15)20(18,19)16-8-9-4-1-2-6-11(9)17/h3,5,7,9,11,16-17H,1-2,4,6,8H2.
What are the key properties of 2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide?
2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide has a molecular weight of 338.26 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 64913894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).