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

C9H12BrClN2O2S — CID 81263929

IUPAC3-amino-N-(2-bromo-4-chlorophenyl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C9H12BrClN2O2S/c10-8-6-7(11)2-3-9(8)13-16(14,15)5-1-4-12/h2-3,6,13H,1,4-5,12H2
InChIKeyBEVISPRAGZTJQD-UHFFFAOYSA-N
MW327.63 g/mol
LogP2.19
Rot. Bonds5

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

3-amino-N-(2-bromo-4-chlorophenyl)propane-1-sulfonamide (PubChem CID 81263929) has the molecular formula C9H12BrClN2O2S and a molecular weight of 327.63 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-4-chlorophenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-4-chlorophenyl)propane-1-sulfonamide
PubChem CID81263929
Molecular FormulaC9H12BrClN2O2S
Molecular Weight327.63 g/mol
Exact Mass325.95
IUPAC Name3-amino-N-(2-bromo-4-chlorophenyl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C9H12BrClN2O2S/c10-8-6-7(11)2-3-9(8)13-16(14,15)5-1-4-12/h2-3,6,13H,1,4-5,12H2
InChIKeyBEVISPRAGZTJQD-UHFFFAOYSA-N
XLogP2.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.63
LogP ≤ 52.19
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
N-(2-bromo-4-chlorophenyl)-2-phenylethanesulfonamide
CID 80970637
3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide
CID 60910330
ethyl 2-[(2-bromo-4-chlorophenyl)sulfamoyl]acetate
CID 81274474
2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide
CID 61472414
4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide
CID 116815572
2-(2-bromo-4-chloroanilino)ethanesulfonamide
CID 114385115
5-(aminomethyl)-2-bromo-N-(2-bromo-4-chlorophenyl)thiophene-3-sulfonamide
CID 106073516
N-(2,4-dichlorophenyl)butane-1-sulfonamide
CID 110757016
4-amino-N-(4-bromonaphthalen-1-yl)butane-1-sulfonamide
CID 106077343
3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide
CID 104726640
N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide
CID 81434097

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-4-chlorophenyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(2-bromo-4-chlorophenyl)propane-1-sulfonamide (CID 81263929) is 3-amino-N-(2-bromo-4-chlorophenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-bromo-4-chlorophenyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(2-bromo-4-chlorophenyl)propane-1-sulfonamide is NCCCS(=O)(=O)Nc1ccc(Cl)cc1Br.
What is the InChIKey of 3-amino-N-(2-bromo-4-chlorophenyl)propane-1-sulfonamide?
The InChIKey is BEVISPRAGZTJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClN2O2S/c10-8-6-7(11)2-3-9(8)13-16(14,15)5-1-4-12/h2-3,6,13H,1,4-5,12H2.
What are the key properties of 3-amino-N-(2-bromo-4-chlorophenyl)propane-1-sulfonamide?
3-amino-N-(2-bromo-4-chlorophenyl)propane-1-sulfonamide has a molecular weight of 327.63 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-4-chlorophenyl)propane-1-sulfonamide is sourced from PubChem (CID 81263929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).