3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide

C19H16ClNO3S — CID 2902895

IUPAC3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H16ClNO3S/c20-16-6-9-18(10-7-16)25(23,24)12-11-19(22)21-17-8-5-14-3-1-2-4-15(14)13-17/h1-10,13H,11-12H2,(H,21,22)
InChIKeyDATRQMIOACUVET-UHFFFAOYSA-N
MW373.86 g/mol
LogP4.30
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide

3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide (PubChem CID 2902895) has the molecular formula C19H16ClNO3S and a molecular weight of 373.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide
PubChem CID2902895
Molecular FormulaC19H16ClNO3S
Molecular Weight373.86 g/mol
Exact Mass373.05
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H16ClNO3S/c20-16-6-9-18(10-7-16)25(23,24)12-11-19(22)21-17-8-5-14-3-1-2-4-15(14)13-17/h1-10,13H,11-12H2,(H,21,22)
InChIKeyDATRQMIOACUVET-UHFFFAOYSA-N
XLogP4.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 7254317
3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide
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N-[3-[3-(4-chlorophenyl)sulfonylpropanoylamino]phenyl]cyclopropanecarboxamide
CID 46568536
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3-(4-chlorophenyl)sulfonylpropanamide
CID 135732201
3-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)propanamide
CID 7254314
3-(4-chlorophenyl)sulfonyl-N-(4-cyanophenyl)propanamide
CID 26665455
3-(4-chlorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 7544230
3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide
CID 17310097
N-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 2477289
3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide
CID 26589989
N-(3-chlorophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
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CID 110423914

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide (CID 2902895) is 3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc2ccccc2c1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide?
The InChIKey is DATRQMIOACUVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3S/c20-16-6-9-18(10-7-16)25(23,24)12-11-19(22)21-17-8-5-14-3-1-2-4-15(14)13-17/h1-10,13H,11-12H2,(H,21,22).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide?
3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide has a molecular weight of 373.86 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 2902895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).