N-(1-amino-1-oxopropan-2-yl)-3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxamide

C18H16ClN3O4S — CID 3010610

IUPACN-(1-amino-1-oxopropan-2-yl)-3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1)C(N)=O
InChIInChI=1S/C18H16ClN3O4S/c1-10(17(20)23)21-18(24)15-16(13-9-11(19)7-8-14(13)22-15)27(25,26)12-5-3-2-4-6-12/h2-10,22H,1H3,(H2,20,23)(H,21,24)
InChIKeyJRPKAXMNMBIYGN-UHFFFAOYSA-N
MW405.86 g/mol
LogP2.26
Rot. Bonds5

About N-(1-amino-1-oxopropan-2-yl)-3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxamide

N-(1-amino-1-oxopropan-2-yl)-3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxamide (PubChem CID 3010610) has the molecular formula C18H16ClN3O4S and a molecular weight of 405.86 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxamide
PubChem CID3010610
Molecular FormulaC18H16ClN3O4S
Molecular Weight405.86 g/mol
Exact Mass405.06
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1)C(N)=O
InChIInChI=1S/C18H16ClN3O4S/c1-10(17(20)23)21-18(24)15-16(13-9-11(19)7-8-14(13)22-15)27(25,26)12-5-3-2-4-6-12/h2-10,22H,1H3,(H2,20,23)(H,21,24)
InChIKeyJRPKAXMNMBIYGN-UHFFFAOYSA-N
XLogP2.26
TPSA122.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-1-oxopropan-2-yl)-3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxamide (CID 3010610) is N-(1-amino-1-oxopropan-2-yl)-3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxamide is CC(NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxamide?
The InChIKey is JRPKAXMNMBIYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4S/c1-10(17(20)23)21-18(24)15-16(13-9-11(19)7-8-14(13)22-15)27(25,26)12-5-3-2-4-6-12/h2-10,22H,1H3,(H2,20,23)(H,21,24).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxamide?
N-(1-amino-1-oxopropan-2-yl)-3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxamide has a molecular weight of 405.86 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxamide is sourced from PubChem (CID 3010610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).