3-amino-N-(2-chlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide

C16H18ClN3O2S — CID 4989913

IUPAC3-amino-N-(2-chlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCCC1
InChIInChI=1S/C16H18ClN3O2S/c17-13-5-1-2-6-15(13)19-23(21,22)12-7-8-16(14(18)11-12)20-9-3-4-10-20/h1-2,5-8,11,19H,3-4,9-10,18H2
InChIKeyRCPBHQKTURGGOV-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.32
Rot. Bonds4

About 3-amino-N-(2-chlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide

3-amino-N-(2-chlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide (PubChem CID 4989913) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is 3-amino-N-(2-chlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-chlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
PubChem CID4989913
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name3-amino-N-(2-chlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCCC1
InChIInChI=1S/C16H18ClN3O2S/c17-13-5-1-2-6-15(13)19-23(21,22)12-7-8-16(14(18)11-12)20-9-3-4-10-20/h1-2,5-8,11,19H,3-4,9-10,18H2
InChIKeyRCPBHQKTURGGOV-UHFFFAOYSA-N
XLogP3.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.32
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

N4-(3-chloro-2-(piperidin-1-yl)phenyl)-N1,N1-dimethylbenzene-1,4-disulfonamide
CID 154578372
3-amino-N-(4-chlorophenyl)-4-(morpholin-4-yl)benzene-1-sulfonamide
CID 3875844
5-Amino-N-(2-chloro-phenyl)-2-piperidin-1-yl-benzenesulfonamide
CID 3767555
3-amino-N-(2,5-dichlorophenyl)-4-(pyrrolidin-1-yl)benzene-1-sulfonamide
CID 3840199
3-amino-N-(2,5-dichlorophenyl)-4-(morpholin-4-yl)benzene-1-sulfonamide
CID 3866644
3-Amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide
CID 3774261
N,N-diethyl-3-[(4-fluorophenyl)sulfonylamino]-4-(1-pyrrolidinyl)benzenesulfonamide
CID 3396597
3-(benzenesulfonamido)-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide
CID 4457031
N-(2-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884619
3-amino-N-(2-chlorophenyl)-4-(piperidin-1-yl)benzene-1-sulfonamide
CID 3713455
4-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 4787223
3,4-diamino-N-(2-chlorophenyl)benzenesulfonamide
CID 3766596

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-chlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide (CID 4989913) is 3-amino-N-(2-chlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-chlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-chlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCCC1.
What is the InChIKey of 3-amino-N-(2-chlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The InChIKey is RCPBHQKTURGGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c17-13-5-1-2-6-15(13)19-23(21,22)12-7-8-16(14(18)11-12)20-9-3-4-10-20/h1-2,5-8,11,19H,3-4,9-10,18H2.
What are the key properties of 3-amino-N-(2-chlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
3-amino-N-(2-chlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide has a molecular weight of 351.86 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 4989913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).