4-amino-3-bromo-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide

C10H15BrN2O3S — CID 114230037

IUPAC4-amino-3-bromo-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide
SMILESCN(CCCO)S(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C10H15BrN2O3S/c1-13(5-2-6-14)17(15,16)8-3-4-10(12)9(11)7-8/h3-4,7,14H,2,5-6,12H2,1H3
InChIKeyLHNMYMZVMCAXPQ-UHFFFAOYSA-N
MW323.21 g/mol
LogP1.03
Rot. Bonds5

About 4-amino-3-bromo-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide

4-amino-3-bromo-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide (PubChem CID 114230037) has the molecular formula C10H15BrN2O3S and a molecular weight of 323.21 g/mol. Its IUPAC name is 4-amino-3-bromo-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide
PubChem CID114230037
Molecular FormulaC10H15BrN2O3S
Molecular Weight323.21 g/mol
Exact Mass322.00
IUPAC Name4-amino-3-bromo-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide
SMILESCN(CCCO)S(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C10H15BrN2O3S/c1-13(5-2-6-14)17(15,16)8-3-4-10(12)9(11)7-8/h3-4,7,14H,2,5-6,12H2,1H3
InChIKeyLHNMYMZVMCAXPQ-UHFFFAOYSA-N
XLogP1.03
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide
CID 107197609
3-bromo-N-(5-hydroxypentyl)-4-methoxy-N-methylbenzenesulfonamide
CID 104982030
N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 11287998
4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide
CID 113468571
4-amino-3-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107477991
4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 103833706
3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43345894
2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 62057270
N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide
CID 103829034
2-amino-4,6-dibromo-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107197612
4-[(3-bromo-4-chlorophenyl)sulfonyl-methylamino]butanoic acid
CID 106605185
4-amino-3-bromo-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 64511359

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-bromo-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide (CID 114230037) is 4-amino-3-bromo-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-bromo-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-bromo-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide is CN(CCCO)S(=O)(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of 4-amino-3-bromo-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide?
The InChIKey is LHNMYMZVMCAXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3S/c1-13(5-2-6-14)17(15,16)8-3-4-10(12)9(11)7-8/h3-4,7,14H,2,5-6,12H2,1H3.
What are the key properties of 4-amino-3-bromo-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide?
4-amino-3-bromo-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide has a molecular weight of 323.21 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 114230037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).