3-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide

C14H16ClNO3S2 — CID 71787859

IUPAC3-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCCC(O)c1cccs1
InChIInChI=1S/C14H16ClNO3S2/c1-10-11(15)4-2-6-14(10)21(18,19)16-8-7-12(17)13-5-3-9-20-13/h2-6,9,12,16-17H,7-8H2,1H3
InChIKeyNSRKAESWHXQYEW-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.11
Rot. Bonds6

About 3-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide

3-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide (PubChem CID 71787859) has the molecular formula C14H16ClNO3S2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 3-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide
PubChem CID71787859
Molecular FormulaC14H16ClNO3S2
Molecular Weight345.87 g/mol
Exact Mass345.03
IUPAC Name3-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCCC(O)c1cccs1
InChIInChI=1S/C14H16ClNO3S2/c1-10-11(15)4-2-6-14(10)21(18,19)16-8-7-12(17)13-5-3-9-20-13/h2-6,9,12,16-17H,7-8H2,1H3
InChIKeyNSRKAESWHXQYEW-UHFFFAOYSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide (CID 71787859) is 3-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NCCC(O)c1cccs1.
What is the InChIKey of 3-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide?
The InChIKey is NSRKAESWHXQYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3S2/c1-10-11(15)4-2-6-14(10)21(18,19)16-8-7-12(17)13-5-3-9-20-13/h2-6,9,12,16-17H,7-8H2,1H3.
What are the key properties of 3-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide?
3-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide has a molecular weight of 345.87 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 71787859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).