3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide

C14H20BrNO3S — CID 65122167

IUPAC3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCCCCC1)c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO3S/c15-12-6-5-7-13(10-12)20(18,19)16-11-14(17)8-3-1-2-4-9-14/h5-7,10,16-17H,1-4,8-9,11H2
InChIKeyXXEBRNGYLLOSPQ-UHFFFAOYSA-N
MW362.29 g/mol
LogP2.81
Rot. Bonds4

About 3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide

3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide (PubChem CID 65122167) has the molecular formula C14H20BrNO3S and a molecular weight of 362.29 g/mol. Its IUPAC name is 3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
PubChem CID65122167
Molecular FormulaC14H20BrNO3S
Molecular Weight362.29 g/mol
Exact Mass361.03
IUPAC Name3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCCCCC1)c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO3S/c15-12-6-5-7-13(10-12)20(18,19)16-11-14(17)8-3-1-2-4-9-14/h5-7,10,16-17H,1-4,8-9,11H2
InChIKeyXXEBRNGYLLOSPQ-UHFFFAOYSA-N
XLogP2.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65109388
4-amino-3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65123279
3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 113498452
3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65117612
4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65481634
4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 6737413
3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide
CID 61124967
3-bromo-N-[(6-bromo-4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide
CID 155541343
3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125443896
3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65103398
2-bromo-4-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122783
4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65113107

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide?
The IUPAC name of 3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide (CID 65122167) is 3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide is O=S(=O)(NCC1(O)CCCCCC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide?
The InChIKey is XXEBRNGYLLOSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3S/c15-12-6-5-7-13(10-12)20(18,19)16-11-14(17)8-3-1-2-4-9-14/h5-7,10,16-17H,1-4,8-9,11H2.
What are the key properties of 3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide?
3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide has a molecular weight of 362.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide is sourced from PubChem (CID 65122167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).