4-[(4-chlorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide

C19H23ClN3O3S+ — CID 8531298

IUPAC4-[(4-chlorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide
SMILESO=C(NCC[NH+]1CCCC1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O3S/c20-16-5-7-17(8-6-16)22-27(25,26)18-9-3-15(4-10-18)19(24)21-11-14-23-12-1-2-13-23/h3-10,22H,1-2,11-14H2,(H,21,24)/p+1
InChIKeyPQKJPGMKAAAGED-UHFFFAOYSA-O
MW408.93 g/mol
LogP1.55
Rot. Bonds7

About 4-[(4-chlorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide

4-[(4-chlorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide (PubChem CID 8531298) has the molecular formula C19H23ClN3O3S+ and a molecular weight of 408.93 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide
PubChem CID8531298
Molecular FormulaC19H23ClN3O3S+
Molecular Weight408.93 g/mol
Exact Mass408.11
IUPAC Name4-[(4-chlorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide
SMILESO=C(NCC[NH+]1CCCC1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O3S/c20-16-5-7-17(8-6-16)22-27(25,26)18-9-3-15(4-10-18)19(24)21-11-14-23-12-1-2-13-23/h3-10,22H,1-2,11-14H2,(H,21,24)/p+1
InChIKeyPQKJPGMKAAAGED-UHFFFAOYSA-O
XLogP1.55
TPSA79.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 94622380
4-(benzenesulfonamido)-N-[2-(4-chlorophenyl)ethyl]benzamide
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tert-butyl-[3-[[4-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]propyl]azanium
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CID 7971137
4-[(4-chlorophenyl)sulfamoyl]benzoate
CID 7062536
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
4-(benzenesulfonamido)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]benzamide
CID 39548091
4-[(4-chlorophenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46819760
4-[(4-chlorophenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide
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N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide (CID 8531298) is 4-[(4-chlorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide is O=C(NCC[NH+]1CCCC1)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide?
The InChIKey is PQKJPGMKAAAGED-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22ClN3O3S/c20-16-5-7-17(8-6-16)22-27(25,26)18-9-3-15(4-10-18)19(24)21-11-14-23-12-1-2-13-23/h3-10,22H,1-2,11-14H2,(H,21,24)/p+1.
What are the key properties of 4-[(4-chlorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide?
4-[(4-chlorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide has a molecular weight of 408.93 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide is sourced from PubChem (CID 8531298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).