3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide

C13H17Cl2NO3S — CID 65117612

IUPAC3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO3S/c14-11-5-4-10(8-12(11)15)20(18,19)16-9-13(17)6-2-1-3-7-13/h4-5,8,16-17H,1-3,6-7,9H2
InChIKeyUZRIFGPVPVXICI-UHFFFAOYSA-N
MW338.26 g/mol
LogP2.97
Rot. Bonds4

About 3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide

3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide (PubChem CID 65117612) has the molecular formula C13H17Cl2NO3S and a molecular weight of 338.26 g/mol. Its IUPAC name is 3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
PubChem CID65117612
Molecular FormulaC13H17Cl2NO3S
Molecular Weight338.26 g/mol
Exact Mass337.03
IUPAC Name3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO3S/c14-11-5-4-10(8-12(11)15)20(18,19)16-9-13(17)6-2-1-3-7-13/h4-5,8,16-17H,1-3,6-7,9H2
InChIKeyUZRIFGPVPVXICI-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 6737413
3,4-dichloro-N-[[1-(chloromethyl)cyclopropyl]methyl]benzenesulfonamide
CID 115456637
4-amino-3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65123279
6-amino-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 65102882
3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122167
2-[1-[[(3,4-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81164750
4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65481634
2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122738
2,4-dichloro-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103088575
3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65103398
6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 115754039
4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65113107

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide (CID 65117612) is 3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide is O=S(=O)(NCC1(O)CCCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide?
The InChIKey is UZRIFGPVPVXICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3S/c14-11-5-4-10(8-12(11)15)20(18,19)16-9-13(17)6-2-1-3-7-13/h4-5,8,16-17H,1-3,6-7,9H2.
What are the key properties of 3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide?
3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide has a molecular weight of 338.26 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 65117612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).