1-(3-chlorophenyl)-N-cyclopropyl-N-(2-thiophen-2-ylethyl)methanesulfonamide

C16H18ClNO2S2 — CID 90496128

IUPAC1-(3-chlorophenyl)-N-cyclopropyl-N-(2-thiophen-2-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)N(CCc1cccs1)C1CC1
InChIInChI=1S/C16H18ClNO2S2/c17-14-4-1-3-13(11-14)12-22(19,20)18(15-6-7-15)9-8-16-5-2-10-21-16/h1-5,10-11,15H,6-9,12H2
InChIKeyPBDHNICPXBPBKU-UHFFFAOYSA-N
MW355.91 g/mol
LogP3.94
Rot. Bonds7

About 1-(3-chlorophenyl)-N-cyclopropyl-N-(2-thiophen-2-ylethyl)methanesulfonamide

1-(3-chlorophenyl)-N-cyclopropyl-N-(2-thiophen-2-ylethyl)methanesulfonamide (PubChem CID 90496128) has the molecular formula C16H18ClNO2S2 and a molecular weight of 355.91 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-cyclopropyl-N-(2-thiophen-2-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-cyclopropyl-N-(2-thiophen-2-ylethyl)methanesulfonamide
PubChem CID90496128
Molecular FormulaC16H18ClNO2S2
Molecular Weight355.91 g/mol
Exact Mass355.05
IUPAC Name1-(3-chlorophenyl)-N-cyclopropyl-N-(2-thiophen-2-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)N(CCc1cccs1)C1CC1
InChIInChI=1S/C16H18ClNO2S2/c17-14-4-1-3-13(11-14)12-22(19,20)18(15-6-7-15)9-8-16-5-2-10-21-16/h1-5,10-11,15H,6-9,12H2
InChIKeyPBDHNICPXBPBKU-UHFFFAOYSA-N
XLogP3.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496109
2-[(3-chlorophenyl)methylsulfonyl-cyclopropylamino]acetamide
CID 19837764
N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496094
N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496100
N-cyclopropyl-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496096
3-chloro-N-cyclopropyl-4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496126
N-cyclopropyl-1-(3-methylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]methanesulfonamide
CID 110716211
3-chloro-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 90610883
N-cyclopropyl-2,5-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496104
2,5-dichloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzamide
CID 71781417
1-(3-chlorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16888338
N-cyclopropyl-5-ethyl-2-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496140

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-cyclopropyl-N-(2-thiophen-2-ylethyl)methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-cyclopropyl-N-(2-thiophen-2-ylethyl)methanesulfonamide (CID 90496128) is 1-(3-chlorophenyl)-N-cyclopropyl-N-(2-thiophen-2-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-cyclopropyl-N-(2-thiophen-2-ylethyl)methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-cyclopropyl-N-(2-thiophen-2-ylethyl)methanesulfonamide is O=S(=O)(Cc1cccc(Cl)c1)N(CCc1cccs1)C1CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-cyclopropyl-N-(2-thiophen-2-ylethyl)methanesulfonamide?
The InChIKey is PBDHNICPXBPBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S2/c17-14-4-1-3-13(11-14)12-22(19,20)18(15-6-7-15)9-8-16-5-2-10-21-16/h1-5,10-11,15H,6-9,12H2.
What are the key properties of 1-(3-chlorophenyl)-N-cyclopropyl-N-(2-thiophen-2-ylethyl)methanesulfonamide?
1-(3-chlorophenyl)-N-cyclopropyl-N-(2-thiophen-2-ylethyl)methanesulfonamide has a molecular weight of 355.91 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-cyclopropyl-N-(2-thiophen-2-ylethyl)methanesulfonamide is sourced from PubChem (CID 90496128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).