N-[4-[carbamoyl(2-hydroxypropyl)sulfamoyl]phenyl]-4,5-dichloro-1-methylindole-2-carboxamide

C20H20Cl2N4O5S — CID 130408721

IUPACN-[4-[carbamoyl(2-hydroxypropyl)sulfamoyl]phenyl]-4,5-dichloro-1-methylindole-2-carboxamide
SMILESCC(O)CN(C(N)=O)S(=O)(=O)c1ccc(NC(=O)c2cc3c(Cl)c(Cl)ccc3n2C)cc1
InChIInChI=1S/C20H20Cl2N4O5S/c1-11(27)10-26(20(23)29)32(30,31)13-5-3-12(4-6-13)24-19(28)17-9-14-16(25(17)2)8-7-15(21)18(14)22/h3-9,11,27H,10H2,1-2H3,(H2,23,29)(H,24,28)
InChIKeyGUJMDBSASGZSCL-UHFFFAOYSA-N
MW499.38 g/mol
LogP3.19
Rot. Bonds6

About N-[4-[carbamoyl(2-hydroxypropyl)sulfamoyl]phenyl]-4,5-dichloro-1-methylindole-2-carboxamide

N-[4-[carbamoyl(2-hydroxypropyl)sulfamoyl]phenyl]-4,5-dichloro-1-methylindole-2-carboxamide (PubChem CID 130408721) has the molecular formula C20H20Cl2N4O5S and a molecular weight of 499.38 g/mol. Its IUPAC name is N-[4-[carbamoyl(2-hydroxypropyl)sulfamoyl]phenyl]-4,5-dichloro-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[carbamoyl(2-hydroxypropyl)sulfamoyl]phenyl]-4,5-dichloro-1-methylindole-2-carboxamide
PubChem CID130408721
Molecular FormulaC20H20Cl2N4O5S
Molecular Weight499.38 g/mol
Exact Mass498.05
IUPAC NameN-[4-[carbamoyl(2-hydroxypropyl)sulfamoyl]phenyl]-4,5-dichloro-1-methylindole-2-carboxamide
SMILESCC(O)CN(C(N)=O)S(=O)(=O)c1ccc(NC(=O)c2cc3c(Cl)c(Cl)ccc3n2C)cc1
InChIInChI=1S/C20H20Cl2N4O5S/c1-11(27)10-26(20(23)29)32(30,31)13-5-3-12(4-6-13)24-19(28)17-9-14-16(25(17)2)8-7-15(21)18(14)22/h3-9,11,27H,10H2,1-2H3,(H2,23,29)(H,24,28)
InChIKeyGUJMDBSASGZSCL-UHFFFAOYSA-N
XLogP3.19
TPSA134.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.38
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
CID 130408598
N-[4-[carbamoyl(propan-2-yl)sulfamoyl]phenyl]-4-chloro-5-fluoro-1-methylindole-2-carboxamide
CID 130408703
4,5-dichloro-N-[4-(4-hydroxybutan-2-ylcarbamoylsulfamoyl)phenyl]-1-methylindole-2-carboxamide
CID 130420714
(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
4,5-dichloro-1-methyl-N-[4-(pyrazin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 130420421
4-chloro-5-fluoro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 145367844
4,5-dichloro-N-[4-(diethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55600497
5-chloro-4-fluoro-1-methyl-N-[4-(1H-1,2,4-triazol-5-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 130420435
3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 8759609
2,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 9494815
4,5-dichloro-N-(3-ethyloxolan-3-yl)-1-methylindole-2-carboxamide
CID 145367489

Frequently Asked Questions

What is the IUPAC name of N-[4-[carbamoyl(2-hydroxypropyl)sulfamoyl]phenyl]-4,5-dichloro-1-methylindole-2-carboxamide?
The IUPAC name of N-[4-[carbamoyl(2-hydroxypropyl)sulfamoyl]phenyl]-4,5-dichloro-1-methylindole-2-carboxamide (CID 130408721) is N-[4-[carbamoyl(2-hydroxypropyl)sulfamoyl]phenyl]-4,5-dichloro-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[4-[carbamoyl(2-hydroxypropyl)sulfamoyl]phenyl]-4,5-dichloro-1-methylindole-2-carboxamide?
The canonical SMILES for N-[4-[carbamoyl(2-hydroxypropyl)sulfamoyl]phenyl]-4,5-dichloro-1-methylindole-2-carboxamide is CC(O)CN(C(N)=O)S(=O)(=O)c1ccc(NC(=O)c2cc3c(Cl)c(Cl)ccc3n2C)cc1.
What is the InChIKey of N-[4-[carbamoyl(2-hydroxypropyl)sulfamoyl]phenyl]-4,5-dichloro-1-methylindole-2-carboxamide?
The InChIKey is GUJMDBSASGZSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O5S/c1-11(27)10-26(20(23)29)32(30,31)13-5-3-12(4-6-13)24-19(28)17-9-14-16(25(17)2)8-7-15(21)18(14)22/h3-9,11,27H,10H2,1-2H3,(H2,23,29)(H,24,28).
What are the key properties of N-[4-[carbamoyl(2-hydroxypropyl)sulfamoyl]phenyl]-4,5-dichloro-1-methylindole-2-carboxamide?
N-[4-[carbamoyl(2-hydroxypropyl)sulfamoyl]phenyl]-4,5-dichloro-1-methylindole-2-carboxamide has a molecular weight of 499.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[carbamoyl(2-hydroxypropyl)sulfamoyl]phenyl]-4,5-dichloro-1-methylindole-2-carboxamide is sourced from PubChem (CID 130408721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).