N-[4-(carbamoylsulfamoyl)phenyl]-3-(5-chloroindol-1-yl)propanamide;molecular hydrogen

C18H23ClN4O4S — CID 157439819

IUPACN-[4-(carbamoylsulfamoyl)phenyl]-3-(5-chloroindol-1-yl)propanamide;molecular hydrogen
SMILESNC(=O)NS(=O)(=O)c1ccc(NC(=O)CCn2ccc3cc(Cl)ccc32)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C18H17ClN4O4S.3H2/c19-13-1-6-16-12(11-13)7-9-23(16)10-8-17(24)21-14-2-4-15(5-3-14)28(26,27)22-18(20)25;;;/h1-7,9,11H,8,10H2,(H,21,24)(H3,20,22,25);3*1H
InChIKeyBRNMUSZPIDNREZ-UHFFFAOYSA-N
MW426.93 g/mol
LogP3.42
Rot. Bonds6

About N-[4-(carbamoylsulfamoyl)phenyl]-3-(5-chloroindol-1-yl)propanamide;molecular hydrogen

N-[4-(carbamoylsulfamoyl)phenyl]-3-(5-chloroindol-1-yl)propanamide;molecular hydrogen (PubChem CID 157439819) has the molecular formula C18H23ClN4O4S and a molecular weight of 426.93 g/mol. Its IUPAC name is N-[4-(carbamoylsulfamoyl)phenyl]-3-(5-chloroindol-1-yl)propanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[4-(carbamoylsulfamoyl)phenyl]-3-(5-chloroindol-1-yl)propanamide;molecular hydrogen
PubChem CID157439819
Molecular FormulaC18H23ClN4O4S
Molecular Weight426.93 g/mol
Exact Mass426.11
IUPAC NameN-[4-(carbamoylsulfamoyl)phenyl]-3-(5-chloroindol-1-yl)propanamide;molecular hydrogen
SMILESNC(=O)NS(=O)(=O)c1ccc(NC(=O)CCn2ccc3cc(Cl)ccc32)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C18H17ClN4O4S.3H2/c19-13-1-6-16-12(11-13)7-9-23(16)10-8-17(24)21-14-2-4-15(5-3-14)28(26,27)22-18(20)25;;;/h1-7,9,11H,8,10H2,(H,21,24)(H3,20,22,25);3*1H
InChIKeyBRNMUSZPIDNREZ-UHFFFAOYSA-N
XLogP3.42
TPSA123.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-(carbamoylsulfamoyl)phenyl]-3-(5-chloroindol-1-yl)propanamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-chloroindol-1-yl)propanehydrazide
CID 63878514
N-carbamoyl-2-(5-chloroindol-1-yl)acetamide
CID 116623133
N-(3-chlorophenyl)sulfonyl-3-indol-1-ylpropanamide
CID 86997837
3-(5-chloroindol-1-yl)-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]propanamide;molecular hydrogen
CID 159909017
N-(4-aminophenyl)-3-indol-1-ylpropanamide
CID 43247263
(E)-but-2-enedioic acid;2-(5-chloroindol-1-yl)ethanamine
CID 18986305
methyl N-[4-[[2-(5-chloro-3-methylindol-1-yl)acetyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen
CID 158590328
5-chloro-N-[4-(2-hydroxypropan-2-ylcarbamoylsulfamoyl)phenyl]-1-methylindole-2-carboxamide
CID 145039684
4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride
CID 119865627
6-(5-chloroindol-1-yl)hexan-2-one
CID 63879725
3-indol-1-yl-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9257089
2,4-dichloro-N-[4-[(2,4-dichlorobenzoyl)sulfamoyl]phenyl]benzamide
CID 5064055

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylsulfamoyl)phenyl]-3-(5-chloroindol-1-yl)propanamide;molecular hydrogen?
The IUPAC name of N-[4-(carbamoylsulfamoyl)phenyl]-3-(5-chloroindol-1-yl)propanamide;molecular hydrogen (CID 157439819) is N-[4-(carbamoylsulfamoyl)phenyl]-3-(5-chloroindol-1-yl)propanamide;molecular hydrogen.
What is the SMILES notation for N-[4-(carbamoylsulfamoyl)phenyl]-3-(5-chloroindol-1-yl)propanamide;molecular hydrogen?
The canonical SMILES for N-[4-(carbamoylsulfamoyl)phenyl]-3-(5-chloroindol-1-yl)propanamide;molecular hydrogen is NC(=O)NS(=O)(=O)c1ccc(NC(=O)CCn2ccc3cc(Cl)ccc32)cc1.[H][H].[H][H].[H][H].
What is the InChIKey of N-[4-(carbamoylsulfamoyl)phenyl]-3-(5-chloroindol-1-yl)propanamide;molecular hydrogen?
The InChIKey is BRNMUSZPIDNREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O4S.3H2/c19-13-1-6-16-12(11-13)7-9-23(16)10-8-17(24)21-14-2-4-15(5-3-14)28(26,27)22-18(20)25;;;/h1-7,9,11H,8,10H2,(H,21,24)(H3,20,22,25);3*1H.
What are the key properties of N-[4-(carbamoylsulfamoyl)phenyl]-3-(5-chloroindol-1-yl)propanamide;molecular hydrogen?
N-[4-(carbamoylsulfamoyl)phenyl]-3-(5-chloroindol-1-yl)propanamide;molecular hydrogen has a molecular weight of 426.93 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylsulfamoyl)phenyl]-3-(5-chloroindol-1-yl)propanamide;molecular hydrogen is sourced from PubChem (CID 157439819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).