3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide

C10H15BrN2O2S — CID 60910330

IUPAC3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)CCCN
InChIInChI=1S/C10H15BrN2O2S/c1-8-7-9(11)3-4-10(8)13-16(14,15)6-2-5-12/h3-4,7,13H,2,5-6,12H2,1H3
InChIKeyCNKMBVLVNQQCNZ-UHFFFAOYSA-N
MW307.21 g/mol
LogP1.85
Rot. Bonds5

About 3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide

3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide (PubChem CID 60910330) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide
PubChem CID60910330
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Name3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)CCCN
InChIInChI=1S/C10H15BrN2O2S/c1-8-7-9(11)3-4-10(8)13-16(14,15)6-2-5-12/h3-4,7,13H,2,5-6,12H2,1H3
InChIKeyCNKMBVLVNQQCNZ-UHFFFAOYSA-N
XLogP1.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2,4-dibromophenyl)butane-1-sulfonamide
CID 106003329
3-amino-N-(2-bromo-4-chlorophenyl)propane-1-sulfonamide
CID 81263929
N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide
CID 6468897
3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide
CID 104726640
N-(5-bromo-2-methylphenyl)-3-methoxypropane-1-sulfonamide
CID 55171348
3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide
CID 60909550
N-(2-amino-4-bromophenyl)propane-1-sulfonamide
CID 29008435
3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide
CID 43654466
4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid
CID 43705525
4-(butylsulfonylamino)-3-methylbenzenesulfonamide
CID 43246859
N-[2-(6-amino-2-oxohexanoyl)-4-bromophenyl]octane-1-sulfonamide
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N-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide
CID 43654223

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide (CID 60910330) is 3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide is Cc1cc(Br)ccc1NS(=O)(=O)CCCN.
What is the InChIKey of 3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide?
The InChIKey is CNKMBVLVNQQCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-8-7-9(11)3-4-10(8)13-16(14,15)6-2-5-12/h3-4,7,13H,2,5-6,12H2,1H3.
What are the key properties of 3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide?
3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide has a molecular weight of 307.21 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 60910330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).