N-[4-(aminomethyl)phenyl]-6-bromo-1H-indole-3-sulfonamide

C15H14BrN3O2S — CID 153279331

IUPACN-[4-(aminomethyl)phenyl]-6-bromo-1H-indole-3-sulfonamide
SMILESNCc1ccc(NS(=O)(=O)c2c[nH]c3cc(Br)ccc23)cc1
InChIInChI=1S/C15H14BrN3O2S/c16-11-3-6-13-14(7-11)18-9-15(13)22(20,21)19-12-4-1-10(8-17)2-5-12/h1-7,9,18-19H,8,17H2
InChIKeyLYGQWLUIQUDXJE-UHFFFAOYSA-N
MW380.27 g/mol
LogP3.19
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-6-bromo-1H-indole-3-sulfonamide

N-[4-(aminomethyl)phenyl]-6-bromo-1H-indole-3-sulfonamide (PubChem CID 153279331) has the molecular formula C15H14BrN3O2S and a molecular weight of 380.27 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-6-bromo-1H-indole-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-6-bromo-1H-indole-3-sulfonamide
PubChem CID153279331
Molecular FormulaC15H14BrN3O2S
Molecular Weight380.27 g/mol
Exact Mass379.00
IUPAC NameN-[4-(aminomethyl)phenyl]-6-bromo-1H-indole-3-sulfonamide
SMILESNCc1ccc(NS(=O)(=O)c2c[nH]c3cc(Br)ccc23)cc1
InChIInChI=1S/C15H14BrN3O2S/c16-11-3-6-13-14(7-11)18-9-15(13)22(20,21)19-12-4-1-10(8-17)2-5-12/h1-7,9,18-19H,8,17H2
InChIKeyLYGQWLUIQUDXJE-UHFFFAOYSA-N
XLogP3.19
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135201012
N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide
CID 63254135
6-bromo-N-[5-(difluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164907955
N-(4-cyanophenyl)-6-fluoro-1H-indole-3-sulfonamide
CID 135187095
4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61468511
N-[3-(aminomethyl)phenyl]-4-bromo-2-fluorobenzenesulfonamide
CID 116527872
6-bromo-N-[5-(2-cyanoethyl)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164907891
N-(4-ethynylphenyl)-6-methylsulfonyl-1H-indole-3-sulfonamide
CID 135188134
4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061759
5-amino-N-(4-fluorophenyl)-1H-indole-3-sulfonamide
CID 64853032
6-bromo-N-[3,6-difluoro-5-(3-methoxypropyl)-2-pyridinyl]-1H-indole-3-sulfonamide
CID 135187147
5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 106061488

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-6-bromo-1H-indole-3-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-6-bromo-1H-indole-3-sulfonamide (CID 153279331) is N-[4-(aminomethyl)phenyl]-6-bromo-1H-indole-3-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-6-bromo-1H-indole-3-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-6-bromo-1H-indole-3-sulfonamide is NCc1ccc(NS(=O)(=O)c2c[nH]c3cc(Br)ccc23)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-6-bromo-1H-indole-3-sulfonamide?
The InChIKey is LYGQWLUIQUDXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2S/c16-11-3-6-13-14(7-11)18-9-15(13)22(20,21)19-12-4-1-10(8-17)2-5-12/h1-7,9,18-19H,8,17H2.
What are the key properties of N-[4-(aminomethyl)phenyl]-6-bromo-1H-indole-3-sulfonamide?
N-[4-(aminomethyl)phenyl]-6-bromo-1H-indole-3-sulfonamide has a molecular weight of 380.27 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-6-bromo-1H-indole-3-sulfonamide is sourced from PubChem (CID 153279331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).