4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide

C15H17BrN2O2S — CID 112979761

IUPAC4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide
SMILESCCCNc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-2-11-17-13-5-7-14(8-6-13)18-21(19,20)15-9-3-12(16)4-10-15/h3-10,17-18H,2,11H2,1H3
InChIKeyYZCUAJKJFCZRCM-UHFFFAOYSA-N
MW369.28 g/mol
LogP4.07
Rot. Bonds6

About 4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide

4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide (PubChem CID 112979761) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide
PubChem CID112979761
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide
SMILESCCCNc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-2-11-17-13-5-7-14(8-6-13)18-21(19,20)15-9-3-12(16)4-10-15/h3-10,17-18H,2,11H2,1H3
InChIKeyYZCUAJKJFCZRCM-UHFFFAOYSA-N
XLogP4.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
CID 62142672
4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023499
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
N-(4-bromophenyl)-4-iodobenzenesulfonamide
CID 990484
N-(3-ethylpentan-3-yl)-4-(propylamino)benzenesulfonamide
CID 65042766
N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide
CID 112980277
4-(bromomethyl)-N-(4-bromophenyl)benzenesulfonamide
CID 65480206
4-bromo-N-[4-(bromomethyl)phenyl]benzenesulfonamide
CID 113271541
4-bromo-N-(4-hydroxyphenyl)benzenesulfonamide
CID 875203
4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2212078
4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide
CID 62146808
N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide
CID 62147451

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide (CID 112979761) is 4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide is CCCNc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide?
The InChIKey is YZCUAJKJFCZRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-2-11-17-13-5-7-14(8-6-13)18-21(19,20)15-9-3-12(16)4-10-15/h3-10,17-18H,2,11H2,1H3.
What are the key properties of 4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide?
4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(propylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112979761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).