4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide

C12H15BrClNO2S — CID 46406690

IUPAC4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClNO2S/c13-10-5-6-12(11(14)7-10)18(16,17)15-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8H2
InChIKeyFJEGVHGURDRNLV-UHFFFAOYSA-N
MW352.68 g/mol
LogP3.57
Rot. Bonds4

About 4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide

4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide (PubChem CID 46406690) has the molecular formula C12H15BrClNO2S and a molecular weight of 352.68 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
PubChem CID46406690
Molecular FormulaC12H15BrClNO2S
Molecular Weight352.68 g/mol
Exact Mass350.97
IUPAC Name4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClNO2S/c13-10-5-6-12(11(14)7-10)18(16,17)15-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8H2
InChIKeyFJEGVHGURDRNLV-UHFFFAOYSA-N
XLogP3.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.68
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 47406363
4-bromo-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42999359
4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974161
4-bromo-2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 61207385
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide
CID 63686492
5-bromo-N-(cyclopentylmethyl)-2-nitrobenzenesulfonamide
CID 61016024
5-bromo-2-chloro-N-[[(3S)-piperidin-3-yl]methyl]benzenesulfonamide
CID 124698506
5-bromo-2-chloro-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968718
4-bromo-2-chloro-N-(1,4-dithian-2-ylmethyl)benzenesulfonamide
CID 113253324
5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43370966
4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 60727630
2,4-dibromo-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106126545

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide (CID 46406690) is 4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide is O=S(=O)(NCC1CCCC1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide?
The InChIKey is FJEGVHGURDRNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2S/c13-10-5-6-12(11(14)7-10)18(16,17)15-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8H2.
What are the key properties of 4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide?
4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide has a molecular weight of 352.68 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide is sourced from PubChem (CID 46406690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).