4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide

C10H10BrCl2NO2S — CID 60727630

IUPAC4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H10BrCl2NO2S/c11-7-3-8(12)10(9(13)4-7)17(15,16)14-5-6-1-2-6/h3-4,6,14H,1-2,5H2
InChIKeyJDKDXNYPWVLOAG-UHFFFAOYSA-N
MW359.07 g/mol
LogP3.44
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide (PubChem CID 60727630) has the molecular formula C10H10BrCl2NO2S and a molecular weight of 359.07 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
PubChem CID60727630
Molecular FormulaC10H10BrCl2NO2S
Molecular Weight359.07 g/mol
Exact Mass356.90
IUPAC Name4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H10BrCl2NO2S/c11-7-3-8(12)10(9(13)4-7)17(15,16)14-5-6-1-2-6/h3-4,6,14H,1-2,5H2
InChIKeyJDKDXNYPWVLOAG-UHFFFAOYSA-N
XLogP3.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.07
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[(4-bromocyclohexyl)methyl]-2,6-dichlorobenzenesulfonamide
CID 106136164
4-bromo-2,6-dichloro-N-(2-cyclopentylethyl)benzenesulfonamide
CID 63422598
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 46406690
4-amino-2,6-dichloro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63726263
4-bromo-2,6-dichloro-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63994006
3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 2799391
4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide
CID 60640000
4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605913
2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide
CID 43371478
4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650766
2-amino-4,6-dibromo-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106119165

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide (CID 60727630) is 4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide is O=S(=O)(NCC1CC1)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide?
The InChIKey is JDKDXNYPWVLOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl2NO2S/c11-7-3-8(12)10(9(13)4-7)17(15,16)14-5-6-1-2-6/h3-4,6,14H,1-2,5H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide has a molecular weight of 359.07 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide is sourced from PubChem (CID 60727630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).