N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indole-2-carbohydrazide

C20H20N4O4S — CID 9208011

IUPACN'-(3-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indole-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H20N4O4S/c25-19(22-23-20(26)18-13-14-6-1-2-9-17(14)21-18)15-7-5-8-16(12-15)29(27,28)24-10-3-4-11-24/h1-2,5-9,12-13,21H,3-4,10-11H2,(H,22,25)(H,23,26)
InChIKeyBRXJIEOHABASOG-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.03
Rot. Bonds4

About N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indole-2-carbohydrazide

N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indole-2-carbohydrazide (PubChem CID 9208011) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indole-2-carbohydrazide
PubChem CID9208011
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN'-(3-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indole-2-carbohydrazide
SMILESO=C(NNC(=O)c1cc2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C20H20N4O4S/c25-19(22-23-20(26)18-13-14-6-1-2-9-17(14)21-18)15-7-5-8-16(12-15)29(27,28)24-10-3-4-11-24/h1-2,5-9,12-13,21H,3-4,10-11H2,(H,22,25)(H,23,26)
InChIKeyBRXJIEOHABASOG-UHFFFAOYSA-N
XLogP2.03
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indole-2-carbohydrazide 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

N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 7742373
N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)-1-benzothiophene-2-carbohydrazide
CID 35507327
N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2567588
1-methyl-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea
CID 8668824
N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
CID 46523062
N-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2333186
N'-(3-piperidin-1-ylsulfonylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 26778436
N'-[2-(2-methoxyphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 9093828
1-benzyl-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea
CID 26837613
N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2420116
3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 35507212
2,5-dimethyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)furan-3-carbohydrazide
CID 4782675

Frequently Asked Questions

What is the IUPAC name of N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indole-2-carbohydrazide?
The IUPAC name of N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indole-2-carbohydrazide (CID 9208011) is N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indole-2-carbohydrazide.
What is the SMILES notation for N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indole-2-carbohydrazide?
The canonical SMILES for N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indole-2-carbohydrazide is O=C(NNC(=O)c1cc2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indole-2-carbohydrazide?
The InChIKey is BRXJIEOHABASOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c25-19(22-23-20(26)18-13-14-6-1-2-9-17(14)21-18)15-7-5-8-16(12-15)29(27,28)24-10-3-4-11-24/h1-2,5-9,12-13,21H,3-4,10-11H2,(H,22,25)(H,23,26).
What are the key properties of N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indole-2-carbohydrazide?
N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indole-2-carbohydrazide has a molecular weight of 412.47 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indole-2-carbohydrazide is sourced from PubChem (CID 9208011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).