N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-6-methoxy-1H-indole-2-carboxamide

C22H18ClN3O5S — CID 38487232

IUPACN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3cc(S(=O)(=O)Nc4cccc(Cl)c4)ccc3O)[nH]c2c1
InChIInChI=1S/C22H18ClN3O5S/c1-31-16-6-5-13-9-20(24-18(13)11-16)22(28)25-19-12-17(7-8-21(19)27)32(29,30)26-15-4-2-3-14(23)10-15/h2-12,24,26-27H,1H3,(H,25,28)
InChIKeyCPFCCQSELYEYHW-UHFFFAOYSA-N
MW471.92 g/mol
LogP4.59
Rot. Bonds6

About N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-6-methoxy-1H-indole-2-carboxamide

N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-6-methoxy-1H-indole-2-carboxamide (PubChem CID 38487232) has the molecular formula C22H18ClN3O5S and a molecular weight of 471.92 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-6-methoxy-1H-indole-2-carboxamide
PubChem CID38487232
Molecular FormulaC22H18ClN3O5S
Molecular Weight471.92 g/mol
Exact Mass471.07
IUPAC NameN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3cc(S(=O)(=O)Nc4cccc(Cl)c4)ccc3O)[nH]c2c1
InChIInChI=1S/C22H18ClN3O5S/c1-31-16-6-5-13-9-20(24-18(13)11-16)22(28)25-19-12-17(7-8-21(19)27)32(29,30)26-15-4-2-3-14(23)10-15/h2-12,24,26-27H,1H3,(H,25,28)
InChIKeyCPFCCQSELYEYHW-UHFFFAOYSA-N
XLogP4.59
TPSA120.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.92
LogP ≤ 54.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamide
CID 36925968
methyl 5-[[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 36927097
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide
CID 36924914
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-methoxy-3-nitrobenzamide
CID 24673057
3-[[(5-chloro-1H-indole-2-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 43053559
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430900
N-(3-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide
CID 110862680
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-nitrobenzamide
CID 46549914
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 46589603
4-chloro-N-[2-fluoro-4-[(3-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892649
N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 134002747
3-[(3-chlorophenyl)sulfamoyl]-N-(2-hydroxyphenyl)benzamide
CID 24564068

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-6-methoxy-1H-indole-2-carboxamide (CID 38487232) is N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-6-methoxy-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)Nc3cc(S(=O)(=O)Nc4cccc(Cl)c4)ccc3O)[nH]c2c1.
What is the InChIKey of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is CPFCCQSELYEYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O5S/c1-31-16-6-5-13-9-20(24-18(13)11-16)22(28)25-19-12-17(7-8-21(19)27)32(29,30)26-15-4-2-3-14(23)10-15/h2-12,24,26-27H,1H3,(H,25,28).
What are the key properties of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-6-methoxy-1H-indole-2-carboxamide?
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 471.92 g/mol, XLogP of 4.59, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 38487232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).