N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide

C17H19N3O3S — CID 28867144

IUPACN-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESNc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C17H19N3O3S/c18-14-4-3-5-15(12-14)19-17(21)13-6-8-16(9-7-13)24(22,23)20-10-1-2-11-20/h3-9,12H,1-2,10-11,18H2,(H,19,21)
InChIKeyVRBIATAMPILHRR-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.31
Rot. Bonds4

About N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 28867144) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID28867144
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESNc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C17H19N3O3S/c18-14-4-3-5-15(12-14)19-17(21)13-6-8-16(9-7-13)24(22,23)20-10-1-2-11-20/h3-9,12H,1-2,10-11,18H2,(H,19,21)
InChIKeyVRBIATAMPILHRR-UHFFFAOYSA-N
XLogP2.31
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 992235
3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1332672
4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide
CID 2665161
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 71904572
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2710397
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-(3-amino-4-methylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 28867146
N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2315784
N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2710141
N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385815

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 28867144) is N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide is Nc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1.
What is the InChIKey of N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is VRBIATAMPILHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c18-14-4-3-5-15(12-14)19-17(21)13-6-8-16(9-7-13)24(22,23)20-10-1-2-11-20/h3-9,12H,1-2,10-11,18H2,(H,19,21).
What are the key properties of N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 345.42 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 28867144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).