3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide

C12H13ClN2O2S2 — CID 43688458

IUPAC3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCc2ccc(Cl)s2)c1
InChIInChI=1S/C12H13ClN2O2S2/c1-14-19(16,17)11-4-2-3-9(7-11)15-8-10-5-6-12(13)18-10/h2-7,14-15H,8H2,1H3
InChIKeyZFCOPNVTSFAGFS-UHFFFAOYSA-N
MW316.84 g/mol
LogP2.92
Rot. Bonds5

About 3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide

3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 43688458) has the molecular formula C12H13ClN2O2S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
PubChem CID43688458
Molecular FormulaC12H13ClN2O2S2
Molecular Weight316.84 g/mol
Exact Mass316.01
IUPAC Name3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCc2ccc(Cl)s2)c1
InChIInChI=1S/C12H13ClN2O2S2/c1-14-19(16,17)11-4-2-3-9(7-11)15-8-10-5-6-12(13)18-10/h2-7,14-15H,8H2,1H3
InChIKeyZFCOPNVTSFAGFS-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

3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688530
3-[(2,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688508
3-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688481
3-(benzylamino)-N-methylbenzenesulfonamide
CID 43688532
3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 43688507
3-[(3-chloro-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide
CID 106816341
5-[[3-(methylsulfamoyl)anilino]methyl]thiophene-3-carboxamide
CID 79611128
3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688489
4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
CID 106048712
3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 28614899
3-[(3-bromofuran-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 106885167
N-methyl-3-(2-methylpropylamino)benzenesulfonamide
CID 43688509

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide (CID 43688458) is 3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(NCc2ccc(Cl)s2)c1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is ZFCOPNVTSFAGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S2/c1-14-19(16,17)11-4-2-3-9(7-11)15-8-10-5-6-12(13)18-10/h2-7,14-15H,8H2,1H3.
What are the key properties of 3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide?
3-[(5-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 3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 43688458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).