5-chloro-N-[4-(2-hydroxypropan-2-ylcarbamoylsulfamoyl)phenyl]-1-methylindole-2-carboxamide

C20H21ClN4O5S — CID 145039684

IUPAC5-chloro-N-[4-(2-hydroxypropan-2-ylcarbamoylsulfamoyl)phenyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(S(=O)(=O)NC(=O)NC(C)(C)O)cc2)cc2cc(Cl)ccc21
InChIInChI=1S/C20H21ClN4O5S/c1-20(2,28)23-19(27)24-31(29,30)15-7-5-14(6-8-15)22-18(26)17-11-12-10-13(21)4-9-16(12)25(17)3/h4-11,28H,1-3H3,(H,22,26)(H2,23,24,27)
InChIKeyGXAQIHMMYNDBRR-UHFFFAOYSA-N
MW464.93 g/mol
LogP2.80
Rot. Bonds5

About 5-chloro-N-[4-(2-hydroxypropan-2-ylcarbamoylsulfamoyl)phenyl]-1-methylindole-2-carboxamide

5-chloro-N-[4-(2-hydroxypropan-2-ylcarbamoylsulfamoyl)phenyl]-1-methylindole-2-carboxamide (PubChem CID 145039684) has the molecular formula C20H21ClN4O5S and a molecular weight of 464.93 g/mol. Its IUPAC name is 5-chloro-N-[4-(2-hydroxypropan-2-ylcarbamoylsulfamoyl)phenyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(2-hydroxypropan-2-ylcarbamoylsulfamoyl)phenyl]-1-methylindole-2-carboxamide
PubChem CID145039684
Molecular FormulaC20H21ClN4O5S
Molecular Weight464.93 g/mol
Exact Mass464.09
IUPAC Name5-chloro-N-[4-(2-hydroxypropan-2-ylcarbamoylsulfamoyl)phenyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(S(=O)(=O)NC(=O)NC(C)(C)O)cc2)cc2cc(Cl)ccc21
InChIInChI=1S/C20H21ClN4O5S/c1-20(2,28)23-19(27)24-31(29,30)15-7-5-14(6-8-15)22-18(26)17-11-12-10-13(21)4-9-16(12)25(17)3/h4-11,28H,1-3H3,(H,22,26)(H2,23,24,27)
InChIKeyGXAQIHMMYNDBRR-UHFFFAOYSA-N
XLogP2.80
TPSA129.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4,5-dichloro-N-[4-(4-hydroxybutan-2-ylcarbamoylsulfamoyl)phenyl]-1-methylindole-2-carboxamide
CID 130420714
5,6-difluoro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
CID 145367786
(3R)-3-[[4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]phenyl]sulfonylcarbamoylamino]butanoic acid
CID 130408567
3-[[4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]phenyl]sulfonylcarbamoylamino]butanoic acid
CID 130408666
1-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 59205391
2,4-dichloro-N-[4-[(2,4-dichlorobenzoyl)sulfamoyl]phenyl]benzamide
CID 5064055
4-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 145367844
5-chloro-N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1-methylindole-2-carboxamide
CID 59365159
N-[4-(carbamoylsulfamoyl)phenyl]-3-(5-chloroindol-1-yl)propanamide;molecular hydrogen
CID 157439819
methyl 5-chloro-1-methylindole-2-carboxylate
CID 4777715
1-(5-chloro-1-methylindol-2-yl)ethanone;ethane
CID 145281717
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(2-hydroxypropan-2-ylcarbamoylsulfamoyl)phenyl]-1-methylindole-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(2-hydroxypropan-2-ylcarbamoylsulfamoyl)phenyl]-1-methylindole-2-carboxamide (CID 145039684) is 5-chloro-N-[4-(2-hydroxypropan-2-ylcarbamoylsulfamoyl)phenyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(2-hydroxypropan-2-ylcarbamoylsulfamoyl)phenyl]-1-methylindole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(2-hydroxypropan-2-ylcarbamoylsulfamoyl)phenyl]-1-methylindole-2-carboxamide is Cn1c(C(=O)Nc2ccc(S(=O)(=O)NC(=O)NC(C)(C)O)cc2)cc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-[4-(2-hydroxypropan-2-ylcarbamoylsulfamoyl)phenyl]-1-methylindole-2-carboxamide?
The InChIKey is GXAQIHMMYNDBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O5S/c1-20(2,28)23-19(27)24-31(29,30)15-7-5-14(6-8-15)22-18(26)17-11-12-10-13(21)4-9-16(12)25(17)3/h4-11,28H,1-3H3,(H,22,26)(H2,23,24,27).
What are the key properties of 5-chloro-N-[4-(2-hydroxypropan-2-ylcarbamoylsulfamoyl)phenyl]-1-methylindole-2-carboxamide?
5-chloro-N-[4-(2-hydroxypropan-2-ylcarbamoylsulfamoyl)phenyl]-1-methylindole-2-carboxamide has a molecular weight of 464.93 g/mol, XLogP of 2.80, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(2-hydroxypropan-2-ylcarbamoylsulfamoyl)phenyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 145039684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).