3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide

C15H22ClNO3S — CID 65122114

IUPAC3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C15H22ClNO3S/c1-12-13(16)7-6-8-14(12)21(19,20)17-11-15(18)9-4-2-3-5-10-15/h6-8,17-18H,2-5,9-11H2,1H3
InChIKeySALGFOURKILUNH-UHFFFAOYSA-N
MW331.86 g/mol
LogP3.01
Rot. Bonds4

About 3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide

3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide (PubChem CID 65122114) has the molecular formula C15H22ClNO3S and a molecular weight of 331.86 g/mol. Its IUPAC name is 3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide
PubChem CID65122114
Molecular FormulaC15H22ClNO3S
Molecular Weight331.86 g/mol
Exact Mass331.10
IUPAC Name3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C15H22ClNO3S/c1-12-13(16)7-6-8-14(12)21(19,20)17-11-15(18)9-4-2-3-5-10-15/h6-8,17-18H,2-5,9-11H2,1H3
InChIKeySALGFOURKILUNH-UHFFFAOYSA-N
XLogP3.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.86
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122738
N-[(1-aminocyclobutyl)methyl]-3-chloro-2-methylbenzenesulfonamide
CID 113411813
3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 39628447
N-(1-adamantylmethyl)-3-chloro-2-methylbenzenesulfonamide
CID 24891141
2,4-dichloro-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103088575
2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65123084
2-cyano-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122736
2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide
CID 65121838
3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 107097792
4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 6737413
3-chloro-N-[[(3S)-3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylbenzenesulfonamide
CID 97066205
3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65117612

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide (CID 65122114) is 3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NCC1(O)CCCCCC1.
What is the InChIKey of 3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is SALGFOURKILUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-12-13(16)7-6-8-14(12)21(19,20)17-11-15(18)9-4-2-3-5-10-15/h6-8,17-18H,2-5,9-11H2,1H3.
What are the key properties of 3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide?
3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide has a molecular weight of 331.86 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 65122114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).