3-amino-N-(2,5-dichlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide

C16H17Cl2N3O2S — CID 3840199

IUPAC3-amino-N-(2,5-dichlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCCC1
InChIInChI=1S/C16H17Cl2N3O2S/c17-11-3-5-13(18)15(9-11)20-24(22,23)12-4-6-16(14(19)10-12)21-7-1-2-8-21/h3-6,9-10,20H,1-2,7-8,19H2
InChIKeyRTNUTGLRRQCDBS-UHFFFAOYSA-N
MW386.30 g/mol
LogP3.98
Rot. Bonds4

About 3-amino-N-(2,5-dichlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide

3-amino-N-(2,5-dichlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide (PubChem CID 3840199) has the molecular formula C16H17Cl2N3O2S and a molecular weight of 386.30 g/mol. Its IUPAC name is 3-amino-N-(2,5-dichlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,5-dichlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
PubChem CID3840199
Molecular FormulaC16H17Cl2N3O2S
Molecular Weight386.30 g/mol
Exact Mass385.04
IUPAC Name3-amino-N-(2,5-dichlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCCC1
InChIInChI=1S/C16H17Cl2N3O2S/c17-11-3-5-13(18)15(9-11)20-24(22,23)12-4-6-16(14(19)10-12)21-7-1-2-8-21/h3-6,9-10,20H,1-2,7-8,19H2
InChIKeyRTNUTGLRRQCDBS-UHFFFAOYSA-N
XLogP3.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 53.98
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-(2,5-dichlorophenyl)-4-(morpholin-4-yl)benzene-1-sulfonamide
CID 3866644
3-(benzenesulfonamido)-N,N-diethyl-4-pyrrolidin-1-ylbenzenesulfonamide
CID 4457031
3-amino-N-(2-chlorophenyl)-4-(piperidin-1-yl)benzene-1-sulfonamide
CID 3713455
2-chloro-N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]benzenesulfonamide
CID 2998794
1-[5-[(2,5-Dichlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]-3-methylthiourea
CID 4354468
3-amino-N-(2-chlorophenyl)-4-(pyrrolidin-1-yl)benzene-1-sulfonamide
CID 4989913
3-amino-4-(azepan-1-yl)-N-(2-chlorophenyl)benzene-1-sulfonamide
CID 3406162
3-amino-N-(2-chlorophenyl)-4-(morpholin-4-yl)benzene-1-sulfonamide
CID 3272605
3-[(2,5-dichlorophenyl)sulfonylamino]-4-(dimethylamino)-N,N-dimethylbenzenesulfonamide
CID 17543415
3-amino-N-(4-chlorophenyl)-4-(piperidin-1-yl)benzene-1-sulfonamide
CID 3828938
3-amino-N-(2,5-dichlorophenyl)-4-(diethylamino)benzene-1-sulfonamide
CID 3831399

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dichlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2,5-dichlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide (CID 3840199) is 3-amino-N-(2,5-dichlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2,5-dichlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2,5-dichlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCCC1.
What is the InChIKey of 3-amino-N-(2,5-dichlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
The InChIKey is RTNUTGLRRQCDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2S/c17-11-3-5-13(18)15(9-11)20-24(22,23)12-4-6-16(14(19)10-12)21-7-1-2-8-21/h3-6,9-10,20H,1-2,7-8,19H2.
What are the key properties of 3-amino-N-(2,5-dichlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide?
3-amino-N-(2,5-dichlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide has a molecular weight of 386.30 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-dichlorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 3840199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).