N-(2-bromophenyl)sulfonyl-2-methyl-3-propan-2-yl-1H-indole-5-carboxamide

C19H19BrN2O3S — CID 110166036

IUPACN-(2-bromophenyl)sulfonyl-2-methyl-3-propan-2-yl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NS(=O)(=O)c3ccccc3Br)cc2c1C(C)C
InChIInChI=1S/C19H19BrN2O3S/c1-11(2)18-12(3)21-16-9-8-13(10-14(16)18)19(23)22-26(24,25)17-7-5-4-6-15(17)20/h4-11,21H,1-3H3,(H,22,23)
InChIKeyODXMDUCBXCXRNZ-UHFFFAOYSA-N
MW435.34 g/mol
LogP4.48
Rot. Bonds4

About N-(2-bromophenyl)sulfonyl-2-methyl-3-propan-2-yl-1H-indole-5-carboxamide

N-(2-bromophenyl)sulfonyl-2-methyl-3-propan-2-yl-1H-indole-5-carboxamide (PubChem CID 110166036) has the molecular formula C19H19BrN2O3S and a molecular weight of 435.34 g/mol. Its IUPAC name is N-(2-bromophenyl)sulfonyl-2-methyl-3-propan-2-yl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)sulfonyl-2-methyl-3-propan-2-yl-1H-indole-5-carboxamide
PubChem CID110166036
Molecular FormulaC19H19BrN2O3S
Molecular Weight435.34 g/mol
Exact Mass434.03
IUPAC NameN-(2-bromophenyl)sulfonyl-2-methyl-3-propan-2-yl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NS(=O)(=O)c3ccccc3Br)cc2c1C(C)C
InChIInChI=1S/C19H19BrN2O3S/c1-11(2)18-12(3)21-16-9-8-13(10-14(16)18)19(23)22-26(24,25)17-7-5-4-6-15(17)20/h4-11,21H,1-3H3,(H,22,23)
InChIKeyODXMDUCBXCXRNZ-UHFFFAOYSA-N
XLogP4.48
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.34
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-(2-bromophenyl)sulfonyl-2-methyl-3-propan-2-yl-1H-indole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromophenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide
CID 110166914
N-(6-bromo-2-pyridinyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 43520459
N-benzyl-3-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 26826505
N-(2-bromophenyl)sulfonyl-4-[(4-fluorophenyl)methoxy]benzamide
CID 110166941
3-[(1-bromonaphthalen-2-yl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonyl-1H-indole-5-carboxamide
CID 22083990
3-bromo-4-methyl-N-methylsulfonylbenzamide
CID 123841069
3-[(1-bromonaphthalen-2-yl)methyl]-2-methyl-N-[(E)-pent-1-enyl]sulfonyl-1H-indole-5-carboxamide
CID 22083989
2-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 3614286
3-[(1-bromonaphthalen-2-yl)methyl]-N-(3-chloro-6-sulfanylidenecyclohexa-1,3-dien-1-yl)sulfonyl-2-methyl-1H-indole-5-carboxamide
CID 87975362
2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 61384326
3-(dimethoxymethyl)-2-methyl-1H-indole-5-carboxylic acid
CID 21231109
4-prop-1-en-2-yl-N-(2-sulfamoylphenyl)sulfonylbenzamide
CID 89187439

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)sulfonyl-2-methyl-3-propan-2-yl-1H-indole-5-carboxamide?
The IUPAC name of N-(2-bromophenyl)sulfonyl-2-methyl-3-propan-2-yl-1H-indole-5-carboxamide (CID 110166036) is N-(2-bromophenyl)sulfonyl-2-methyl-3-propan-2-yl-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)sulfonyl-2-methyl-3-propan-2-yl-1H-indole-5-carboxamide?
The canonical SMILES for N-(2-bromophenyl)sulfonyl-2-methyl-3-propan-2-yl-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NS(=O)(=O)c3ccccc3Br)cc2c1C(C)C.
What is the InChIKey of N-(2-bromophenyl)sulfonyl-2-methyl-3-propan-2-yl-1H-indole-5-carboxamide?
The InChIKey is ODXMDUCBXCXRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3S/c1-11(2)18-12(3)21-16-9-8-13(10-14(16)18)19(23)22-26(24,25)17-7-5-4-6-15(17)20/h4-11,21H,1-3H3,(H,22,23).
What are the key properties of N-(2-bromophenyl)sulfonyl-2-methyl-3-propan-2-yl-1H-indole-5-carboxamide?
N-(2-bromophenyl)sulfonyl-2-methyl-3-propan-2-yl-1H-indole-5-carboxamide has a molecular weight of 435.34 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)sulfonyl-2-methyl-3-propan-2-yl-1H-indole-5-carboxamide is sourced from PubChem (CID 110166036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).