N-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide

C19H21N3O3S — CID 78852520

IUPACN-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)NCCNS(=O)(=O)c3ccccc3)cccc2c1C
InChIInChI=1S/C19H21N3O3S/c1-13-14(2)22-18-16(13)9-6-10-17(18)19(23)20-11-12-21-26(24,25)15-7-4-3-5-8-15/h3-10,21-22H,11-12H2,1-2H3,(H,20,23)
InChIKeyQHUJZWHTTKHRHK-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.49
Rot. Bonds6

About N-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide

N-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide (PubChem CID 78852520) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
PubChem CID78852520
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)NCCNS(=O)(=O)c3ccccc3)cccc2c1C
InChIInChI=1S/C19H21N3O3S/c1-13-14(2)22-18-16(13)9-6-10-17(18)19(23)20-11-12-21-26(24,25)15-7-4-3-5-8-15/h3-10,21-22H,11-12H2,1-2H3,(H,20,23)
InChIKeyQHUJZWHTTKHRHK-UHFFFAOYSA-N
XLogP2.49
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 111471562
2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid
CID 113083408
N-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 30853286
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 111451352
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide
CID 108573152
2-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-nitrobenzamide
CID 33338693
2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide
CID 86979107
N-[2-(benzenesulfonamido)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 166199176
N-[2-(benzenesulfonamido)ethyl]-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 166376567
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 111697659
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 97454271
N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide
CID 108571471

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide?
The IUPAC name of N-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide (CID 78852520) is N-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide?
The canonical SMILES for N-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide is Cc1[nH]c2c(C(=O)NCCNS(=O)(=O)c3ccccc3)cccc2c1C.
What is the InChIKey of N-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide?
The InChIKey is QHUJZWHTTKHRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13-14(2)22-18-16(13)9-6-10-17(18)19(23)20-11-12-21-26(24,25)15-7-4-3-5-8-15/h3-10,21-22H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide?
N-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide is sourced from PubChem (CID 78852520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).