3-(3-chlorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide

C15H13ClN4O3S — CID 25093420

IUPAC3-(3-chlorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide
SMILESNNC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1cccc(Cl)c1
InChIInChI=1S/C15H13ClN4O3S/c16-9-3-1-2-8(6-9)13-11-7-10(24(18,22)23)4-5-12(11)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)
InChIKeyRCWSBQCWRNEOFW-UHFFFAOYSA-N
MW364.81 g/mol
LogP1.74
Rot. Bonds3

About 3-(3-chlorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide

3-(3-chlorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide (PubChem CID 25093420) has the molecular formula C15H13ClN4O3S and a molecular weight of 364.81 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide
PubChem CID25093420
Molecular FormulaC15H13ClN4O3S
Molecular Weight364.81 g/mol
Exact Mass364.04
IUPAC Name3-(3-chlorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide
SMILESNNC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1cccc(Cl)c1
InChIInChI=1S/C15H13ClN4O3S/c16-9-3-1-2-8(6-9)13-11-7-10(24(18,22)23)4-5-12(11)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23)
InChIKeyRCWSBQCWRNEOFW-UHFFFAOYSA-N
XLogP1.74
TPSA131.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Benzenesulfonyl-5-chloroindole-2-carboxamide
CID 454844
5-chloro-3-(3,5-dimethylbenzenesulfonyl)-1H-indole-2-carboxamide
CID 506873
2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide
CID 14611919
3-(benzenesulfinyl)-5-chloro-1H-indole-2-carboxamide
CID 454853
5-chloro-3-phenyl-1H-indole-2-carboxamide
CID 3721490
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N'-(2-hydroxyethyl)-1H-indole-2-carbohydrazide
CID 510647
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide
CID 10271170
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N'-isopropyl-1H-indole-2-carbohydrazide
CID 11625926
1H-Indole-2-carboxamide, 5-chloro-3-[(4-methylphenyl)sulfonyl]-
CID 506867
2-(hydrazinecarbonyl)-3-(2-methylphenyl)-1H-indole-5-sulfonamide
CID 25093413
2-(hydrazinecarbonyl)-3-(3-methylphenyl)-1H-indole-5-sulfonamide
CID 25093414
2-(hydrazinecarbonyl)-3-(4-methylphenyl)-1H-indole-5-sulfonamide
CID 25093415

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide?
The IUPAC name of 3-(3-chlorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide (CID 25093420) is 3-(3-chlorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide?
The canonical SMILES for 3-(3-chlorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide is NNC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide?
The InChIKey is RCWSBQCWRNEOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3S/c16-9-3-1-2-8(6-9)13-11-7-10(24(18,22)23)4-5-12(11)19-14(13)15(21)20-17/h1-7,19H,17H2,(H,20,21)(H2,18,22,23).
What are the key properties of 3-(3-chlorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide?
3-(3-chlorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide has a molecular weight of 364.81 g/mol, XLogP of 1.74, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(hydrazinecarbonyl)-1H-indole-5-sulfonamide is sourced from PubChem (CID 25093420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).