3-chloro-N-cyclopropyl-4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C16H18ClNO2S2 — CID 90496126

IUPAC3-chloro-N-cyclopropyl-4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCc2cccs2)C2CC2)cc1Cl
InChIInChI=1S/C16H18ClNO2S2/c1-12-4-7-15(11-16(12)17)22(19,20)18(13-5-6-13)9-8-14-3-2-10-21-14/h2-4,7,10-11,13H,5-6,8-9H2,1H3
InChIKeyPDIYMLDTITZWHD-UHFFFAOYSA-N
MW355.91 g/mol
LogP4.11
Rot. Bonds6

About 3-chloro-N-cyclopropyl-4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

3-chloro-N-cyclopropyl-4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 90496126) has the molecular formula C16H18ClNO2S2 and a molecular weight of 355.91 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID90496126
Molecular FormulaC16H18ClNO2S2
Molecular Weight355.91 g/mol
Exact Mass355.05
IUPAC Name3-chloro-N-cyclopropyl-4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCc2cccs2)C2CC2)cc1Cl
InChIInChI=1S/C16H18ClNO2S2/c1-12-4-7-15(11-16(12)17)22(19,20)18(13-5-6-13)9-8-14-3-2-10-21-14/h2-4,7,10-11,13H,5-6,8-9H2,1H3
InChIKeyPDIYMLDTITZWHD-UHFFFAOYSA-N
XLogP4.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-cyclopropyl-4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 90496126) is 3-chloro-N-cyclopropyl-4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCc2cccs2)C2CC2)cc1Cl.
What is the InChIKey of 3-chloro-N-cyclopropyl-4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is PDIYMLDTITZWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S2/c1-12-4-7-15(11-16(12)17)22(19,20)18(13-5-6-13)9-8-14-3-2-10-21-14/h2-4,7,10-11,13H,5-6,8-9H2,1H3.
What are the key properties of 3-chloro-N-cyclopropyl-4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
3-chloro-N-cyclopropyl-4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 355.91 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-4-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 90496126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).