4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide

C14H20BrNO2S — CID 42997513

IUPAC4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1Br
InChIInChI=1S/C14H20BrNO2S/c1-11-10-13(8-9-14(11)15)19(17,18)16(2)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3
InChIKeySRPWEBYHDXZCKS-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.71
Rot. Bonds3

About 4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide

4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide (PubChem CID 42997513) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is 4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide
PubChem CID42997513
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC Name4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1Br
InChIInChI=1S/C14H20BrNO2S/c1-11-10-13(8-9-14(11)15)19(17,18)16(2)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3
InChIKeySRPWEBYHDXZCKS-UHFFFAOYSA-N
XLogP3.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N,3-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 60822991
N-cyclohexyl-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 892144
4-bromo-N,3-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 78947881
4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide
CID 62067489
4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide
CID 28632510
4-[cyclohexyl(methyl)sulfamoyl]-2-methylbenzenecarbothioamide
CID 106919946
4-bromo-N-cyclobutyl-N-methylbenzenesulfonamide
CID 115650716
4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide
CID 54920579
N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2142659
3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257349
5-amino-4-bromo-N-cyclohexyl-N,2-dimethylbenzenesulfonamide
CID 114624845
N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide
CID 78786922

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide (CID 42997513) is 4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1Br.
What is the InChIKey of 4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide?
The InChIKey is SRPWEBYHDXZCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-11-10-13(8-9-14(11)15)19(17,18)16(2)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide?
4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide has a molecular weight of 346.29 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 42997513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).