2-cyano-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide

C15H20N2O3S — CID 65122736

IUPAC2-cyano-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C15H20N2O3S/c16-11-13-7-3-4-8-14(13)21(19,20)17-12-15(18)9-5-1-2-6-10-15/h3-4,7-8,17-18H,1-2,5-6,9-10,12H2
InChIKeyWZNPAEZVWDBWRO-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.92
Rot. Bonds4

About 2-cyano-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide

2-cyano-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide (PubChem CID 65122736) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-cyano-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
PubChem CID65122736
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-cyano-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C15H20N2O3S/c16-11-13-7-3-4-8-14(13)21(19,20)17-12-15(18)9-5-1-2-6-10-15/h3-4,7-8,17-18H,1-2,5-6,9-10,12H2
InChIKeyWZNPAEZVWDBWRO-UHFFFAOYSA-N
XLogP1.92
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122738
1-[[(2-cyanophenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312082
3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide
CID 65122114
2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65123084
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712533
2-cyano-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 110731431
4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65113107
N-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide
CID 115753878
2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 80704617
2-cyano-N-(cyclopentylmethyl)benzenesulfonamide
CID 43317177
2-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 61061706
6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 115754039

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide (CID 65122736) is 2-cyano-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NCC1(O)CCCCCC1.
What is the InChIKey of 2-cyano-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide?
The InChIKey is WZNPAEZVWDBWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c16-11-13-7-3-4-8-14(13)21(19,20)17-12-15(18)9-5-1-2-6-10-15/h3-4,7-8,17-18H,1-2,5-6,9-10,12H2.
What are the key properties of 2-cyano-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide?
2-cyano-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide is sourced from PubChem (CID 65122736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).