N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide

C19H21ClN2O3S — CID 23608850

IUPACN-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCCCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-2-3-11-21-19(23)15-4-9-18-14(13-15)10-12-22(18)26(24,25)17-7-5-16(20)6-8-17/h4-9,13H,2-3,10-12H2,1H3,(H,21,23)
InChIKeyDOKYDSRULYUPGN-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.62
Rot. Bonds6

About N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide

N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 23608850) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID23608850
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCCCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-2-3-11-21-19(23)15-4-9-18-14(13-15)10-12-22(18)26(24,25)17-7-5-16(20)6-8-17/h4-9,13H,2-3,10-12H2,1H3,(H,21,23)
InChIKeyDOKYDSRULYUPGN-UHFFFAOYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-pentyl-2,3-dihydroindole-5-carboxamide
CID 23608866
1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide
CID 23608848
1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-2,3-dihydroindole-5-carboxamide
CID 23608854
1-(4-chlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-carboxamide
CID 100765297
1-(4-chlorophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2,3-dihydroindole-5-carboxamide
CID 100765353
1-(4-chlorophenyl)sulfonyl-N-[(2,6-dimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide
CID 100765259
1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2,3-dihydroindole-5-carboxamide
CID 23608855
1-(4-chlorophenyl)sulfonyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 100765315
N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485487
1-(4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)-2,3-dihydroindole-5-carboxamide
CID 23608871
1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide
CID 100765624
N-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 23608841

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide (CID 23608850) is N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide is CCCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is DOKYDSRULYUPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-2-3-11-21-19(23)15-4-9-18-14(13-15)10-12-22(18)26(24,25)17-7-5-16(20)6-8-17/h4-9,13H,2-3,10-12H2,1H3,(H,21,23).
What are the key properties of N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide?
N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 392.91 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 23608850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).