N-[(2-chlorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C18H19ClN2O3S — CID 2712471

IUPACN-[(2-chlorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H19ClN2O3S/c19-17-6-2-1-5-15(17)13-20-18(22)14-7-9-16(10-8-14)25(23,24)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,22)
InChIKeyVUJHYAGQXHSDSR-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.05
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[(2-chlorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2712471) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2712471
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC NameN-[(2-chlorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H19ClN2O3S/c19-17-6-2-1-5-15(17)13-20-18(22)14-7-9-16(10-8-14)25(23,24)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,22)
InChIKeyVUJHYAGQXHSDSR-UHFFFAOYSA-N
XLogP3.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 4290
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CID 1151718
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CID 44395685
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CID 126507182
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CID 1346695
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CID 10385283
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CID 155937511
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CID 1758
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CID 2127096
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CID 3970972
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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 2712471) is N-[(2-chlorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(NCc1ccccc1Cl)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is VUJHYAGQXHSDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c19-17-6-2-1-5-15(17)13-20-18(22)14-7-9-16(10-8-14)25(23,24)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[(2-chlorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 378.88 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2712471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).