3-amino-5-bromo-N-cyclopropyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide

C14H21BrN2O2S — CID 114379068

IUPAC3-amino-5-bromo-N-cyclopropyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1c(N)cc(Br)cc1S(=O)(=O)N(CC(C)C)C1CC1
InChIInChI=1S/C14H21BrN2O2S/c1-9(2)8-17(12-4-5-12)20(18,19)14-7-11(15)6-13(16)10(14)3/h6-7,9,12H,4-5,8,16H2,1-3H3
InChIKeyLTHUXQDWTPSJGO-UHFFFAOYSA-N
MW361.31 g/mol
LogP3.15
Rot. Bonds5

About 3-amino-5-bromo-N-cyclopropyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide

3-amino-5-bromo-N-cyclopropyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 114379068) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is 3-amino-5-bromo-N-cyclopropyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-cyclopropyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID114379068
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC Name3-amino-5-bromo-N-cyclopropyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1c(N)cc(Br)cc1S(=O)(=O)N(CC(C)C)C1CC1
InChIInChI=1S/C14H21BrN2O2S/c1-9(2)8-17(12-4-5-12)20(18,19)14-7-11(15)6-13(16)10(14)3/h6-7,9,12H,4-5,8,16H2,1-3H3
InChIKeyLTHUXQDWTPSJGO-UHFFFAOYSA-N
XLogP3.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 106491500
2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61111608
5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 80646267
5-bromo-N-cyclopropyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 62157132
3-amino-5-bromo-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide
CID 114378838
3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61113120
4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61110862
4-amino-2,6-dichloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61113304
3-amino-5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102631263
4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82844706
3-amino-5-bromo-N,2-dimethyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 114379300
3-amino-5-chloro-N-cyclohexyl-N-ethyl-2-methylbenzenesulfonamide
CID 114378564

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-cyclopropyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-bromo-N-cyclopropyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide (CID 114379068) is 3-amino-5-bromo-N-cyclopropyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-bromo-N-cyclopropyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-bromo-N-cyclopropyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide is Cc1c(N)cc(Br)cc1S(=O)(=O)N(CC(C)C)C1CC1.
What is the InChIKey of 3-amino-5-bromo-N-cyclopropyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is LTHUXQDWTPSJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c1-9(2)8-17(12-4-5-12)20(18,19)14-7-11(15)6-13(16)10(14)3/h6-7,9,12H,4-5,8,16H2,1-3H3.
What are the key properties of 3-amino-5-bromo-N-cyclopropyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide?
3-amino-5-bromo-N-cyclopropyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 361.31 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-cyclopropyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 114379068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).