4-(bromomethyl)-N-(4-chloro-3-cyanophenyl)benzenesulfonamide

C14H10BrClN2O2S — CID 65480606

IUPAC4-(bromomethyl)-N-(4-chloro-3-cyanophenyl)benzenesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2ccc(CBr)cc2)ccc1Cl
InChIInChI=1S/C14H10BrClN2O2S/c15-8-10-1-4-13(5-2-10)21(19,20)18-12-3-6-14(16)11(7-12)9-17/h1-7,18H,8H2
InChIKeyFVUNOUVCRGCIKC-UHFFFAOYSA-N
MW385.67 g/mol
LogP3.91
Rot. Bonds4

About 4-(bromomethyl)-N-(4-chloro-3-cyanophenyl)benzenesulfonamide

4-(bromomethyl)-N-(4-chloro-3-cyanophenyl)benzenesulfonamide (PubChem CID 65480606) has the molecular formula C14H10BrClN2O2S and a molecular weight of 385.67 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(4-chloro-3-cyanophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(4-chloro-3-cyanophenyl)benzenesulfonamide
PubChem CID65480606
Molecular FormulaC14H10BrClN2O2S
Molecular Weight385.67 g/mol
Exact Mass383.93
IUPAC Name4-(bromomethyl)-N-(4-chloro-3-cyanophenyl)benzenesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2ccc(CBr)cc2)ccc1Cl
InChIInChI=1S/C14H10BrClN2O2S/c15-8-10-1-4-13(5-2-10)21(19,20)18-12-3-6-14(16)11(7-12)9-17/h1-7,18H,8H2
InChIKeyFVUNOUVCRGCIKC-UHFFFAOYSA-N
XLogP3.91
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.67
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide
CID 61053173
N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide
CID 18629013
3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 115588612
1-N-(4-chloro-3-cyanophenyl)-3-N,3-N-dimethylbenzene-1,3-disulfonamide
CID 31782478
1-(4-aminophenyl)-N-(4-chloro-3-cyanophenyl)methanesulfonamide
CID 61107710
4-(bromomethyl)-N-(4-bromophenyl)benzenesulfonamide
CID 65480206
4-bromo-N-[4-(bromomethyl)phenyl]benzenesulfonamide
CID 113271541
2-[(4-chloro-3-cyanophenyl)sulfamoyl]acetic acid
CID 43361980
4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 65481186
3-bromo-4-chloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 106605805
4-amino-2-chloro-N-(4-chloro-3-cyanophenyl)benzenesulfonamide
CID 61107705
4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide
CID 106919707

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(4-chloro-3-cyanophenyl)benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-(4-chloro-3-cyanophenyl)benzenesulfonamide (CID 65480606) is 4-(bromomethyl)-N-(4-chloro-3-cyanophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-(4-chloro-3-cyanophenyl)benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-(4-chloro-3-cyanophenyl)benzenesulfonamide is N#Cc1cc(NS(=O)(=O)c2ccc(CBr)cc2)ccc1Cl.
What is the InChIKey of 4-(bromomethyl)-N-(4-chloro-3-cyanophenyl)benzenesulfonamide?
The InChIKey is FVUNOUVCRGCIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2S/c15-8-10-1-4-13(5-2-10)21(19,20)18-12-3-6-14(16)11(7-12)9-17/h1-7,18H,8H2.
What are the key properties of 4-(bromomethyl)-N-(4-chloro-3-cyanophenyl)benzenesulfonamide?
4-(bromomethyl)-N-(4-chloro-3-cyanophenyl)benzenesulfonamide has a molecular weight of 385.67 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(4-chloro-3-cyanophenyl)benzenesulfonamide is sourced from PubChem (CID 65480606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).