5-chloro-3-(3-hydroxypropylsulfamoyl)-1H-indole-2-carboxamide

C12H14ClN3O4S — CID 90709499

IUPAC5-chloro-3-(3-hydroxypropylsulfamoyl)-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)NCCCO
InChIInChI=1S/C12H14ClN3O4S/c13-7-2-3-9-8(6-7)11(10(16-9)12(14)18)21(19,20)15-4-1-5-17/h2-3,6,15-17H,1,4-5H2,(H2,14,18)
InChIKeyDYFROHNPIPBOCX-UHFFFAOYSA-N
MW331.78 g/mol
LogP0.58
Rot. Bonds6

About 5-chloro-3-(3-hydroxypropylsulfamoyl)-1H-indole-2-carboxamide

5-chloro-3-(3-hydroxypropylsulfamoyl)-1H-indole-2-carboxamide (PubChem CID 90709499) has the molecular formula C12H14ClN3O4S and a molecular weight of 331.78 g/mol. Its IUPAC name is 5-chloro-3-(3-hydroxypropylsulfamoyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(3-hydroxypropylsulfamoyl)-1H-indole-2-carboxamide
PubChem CID90709499
Molecular FormulaC12H14ClN3O4S
Molecular Weight331.78 g/mol
Exact Mass331.04
IUPAC Name5-chloro-3-(3-hydroxypropylsulfamoyl)-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)NCCCO
InChIInChI=1S/C12H14ClN3O4S/c13-7-2-3-9-8(6-7)11(10(16-9)12(14)18)21(19,20)15-4-1-5-17/h2-3,6,15-17H,1,4-5H2,(H2,14,18)
InChIKeyDYFROHNPIPBOCX-UHFFFAOYSA-N
XLogP0.58
TPSA125.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide
CID 10425860
5-chloro-3-(2-phenylethylsulfamoyl)-1H-indole-2-carboxamide
CID 10068194
5-chloro-3-[(3-chlorophenyl)methylsulfamoyl]-1H-indole-2-carboxamide
CID 67375248
1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide
CID 162220092
5-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]-1H-indole-2-carboxamide
CID 10471920
5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide
CID 506869
5-bromo-3-[2-(4-methoxyanilino)ethylsulfamoyl]-1H-indole-2-carboxamide
CID 10073258
5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 506872
5-chloro-3-methyl-1H-indole-2-carboxamide
CID 14567452
5-bromo-3-[2-[(5-bromo-2-methoxyphenyl)sulfonylamino]ethylsulfamoyl]-1H-indole-2-carboxamide
CID 10348762
3-(4-acetylpiperazin-1-yl)sulfonyl-5-chloro-1H-indole-2-carboxamide
CID 10068626
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-hydroxypropylsulfamoyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-(3-hydroxypropylsulfamoyl)-1H-indole-2-carboxamide (CID 90709499) is 5-chloro-3-(3-hydroxypropylsulfamoyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(3-hydroxypropylsulfamoyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-(3-hydroxypropylsulfamoyl)-1H-indole-2-carboxamide is NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)NCCCO.
What is the InChIKey of 5-chloro-3-(3-hydroxypropylsulfamoyl)-1H-indole-2-carboxamide?
The InChIKey is DYFROHNPIPBOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O4S/c13-7-2-3-9-8(6-7)11(10(16-9)12(14)18)21(19,20)15-4-1-5-17/h2-3,6,15-17H,1,4-5H2,(H2,14,18).
What are the key properties of 5-chloro-3-(3-hydroxypropylsulfamoyl)-1H-indole-2-carboxamide?
5-chloro-3-(3-hydroxypropylsulfamoyl)-1H-indole-2-carboxamide has a molecular weight of 331.78 g/mol, XLogP of 0.58, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-hydroxypropylsulfamoyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 90709499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).