4-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide

C12H13ClN2O2S2 — CID 79420418

IUPAC4-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2cc(Cl)cs2)cc1
InChIInChI=1S/C12H13ClN2O2S2/c1-14-19(16,17)12-4-2-10(3-5-12)15-7-11-6-9(13)8-18-11/h2-6,8,14-15H,7H2,1H3
InChIKeyYOJSYFQTECPVLY-UHFFFAOYSA-N
MW316.84 g/mol
LogP2.92
Rot. Bonds5

About 4-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide

4-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 79420418) has the molecular formula C12H13ClN2O2S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is 4-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
PubChem CID79420418
Molecular FormulaC12H13ClN2O2S2
Molecular Weight316.84 g/mol
Exact Mass316.01
IUPAC Name4-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2cc(Cl)cs2)cc1
InChIInChI=1S/C12H13ClN2O2S2/c1-14-19(16,17)12-4-2-10(3-5-12)15-7-11-6-9(13)8-18-11/h2-6,8,14-15H,7H2,1H3
InChIKeyYOJSYFQTECPVLY-UHFFFAOYSA-N
XLogP2.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorothiophen-2-yl)methyl]-4-fluoroaniline
CID 79420119
4-N-[(4-chlorothiophen-2-yl)methyl]benzene-1,4-diamine
CID 22486438
N-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide
CID 79419634
2-[4-[(4-chlorothiophen-2-yl)methylamino]phenyl]ethanol
CID 79419830
N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 43742551
N-methyl-4-(2-methylpropylamino)benzenesulfonamide
CID 43453809
5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide
CID 79611128
4-[2-(4-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 61380564
N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide
CID 43742503
4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
CID 106048712
N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
CID 43453835
N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide
CID 114186437

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide (CID 79420418) is 4-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NCc2cc(Cl)cs2)cc1.
What is the InChIKey of 4-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is YOJSYFQTECPVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S2/c1-14-19(16,17)12-4-2-10(3-5-12)15-7-11-6-9(13)8-18-11/h2-6,8,14-15H,7H2,1H3.
What are the key properties of 4-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide?
4-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide has a molecular weight of 316.84 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 79420418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).