N-[(4-chloro-2-methylphenyl)methyl]thiophene-2-sulfonamide

C12H12ClNO2S2 — CID 5003745

IUPACN-[(4-chloro-2-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCc1cc(Cl)ccc1CNS(=O)(=O)c1cccs1
InChIInChI=1S/C12H12ClNO2S2/c1-9-7-11(13)5-4-10(9)8-14-18(15,16)12-3-2-6-17-12/h2-7,14H,8H2,1H3
InChIKeyHGPYUDYCXSCSRH-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.19
Rot. Bonds4

About N-[(4-chloro-2-methylphenyl)methyl]thiophene-2-sulfonamide

N-[(4-chloro-2-methylphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 5003745) has the molecular formula C12H12ClNO2S2 and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[(4-chloro-2-methylphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-chloro-2-methylphenyl)methyl]thiophene-2-sulfonamide
PubChem CID5003745
Molecular FormulaC12H12ClNO2S2
Molecular Weight301.82 g/mol
Exact Mass301.00
IUPAC NameN-[(4-chloro-2-methylphenyl)methyl]thiophene-2-sulfonamide
SMILESCc1cc(Cl)ccc1CNS(=O)(=O)c1cccs1
InChIInChI=1S/C12H12ClNO2S2/c1-9-7-11(13)5-4-10(9)8-14-18(15,16)12-3-2-6-17-12/h2-7,14H,8H2,1H3
InChIKeyHGPYUDYCXSCSRH-UHFFFAOYSA-N
XLogP3.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide
CID 846308
N-[2-(4-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 6470169
4-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]benzenesulfonamide
CID 141518719
5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide
CID 2098655
5-Chloro-thiophene-2-sulfonic acid 4-methyl-benzylamide
CID 893794
JAR-KUA-41bd5a3d-10
CID 156906232
N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide
CID 971284
5-chloro-N-(4-fluorobenzyl)thiophene-2-sulfonamide
CID 893742
N-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide hydrochloride
CID 71757195
N-(2-methylbenzyl)thiophene-2-sulfonamide
CID 846309
N-(4-chlorobenzyl)thiophene-2-sulfonamide
CID 880604
2-chloro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 25869444

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]thiophene-2-sulfonamide (CID 5003745) is N-[(4-chloro-2-methylphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-chloro-2-methylphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-chloro-2-methylphenyl)methyl]thiophene-2-sulfonamide is Cc1cc(Cl)ccc1CNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[(4-chloro-2-methylphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is HGPYUDYCXSCSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S2/c1-9-7-11(13)5-4-10(9)8-14-18(15,16)12-3-2-6-17-12/h2-7,14H,8H2,1H3.
What are the key properties of N-[(4-chloro-2-methylphenyl)methyl]thiophene-2-sulfonamide?
N-[(4-chloro-2-methylphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 301.82 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-methylphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 5003745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).