4-amino-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

C12H13ClN2O2S2 — CID 115329710

IUPAC4-amino-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccsc1)S(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C12H13ClN2O2S2/c1-15(7-9-4-5-18-8-9)19(16,17)10-2-3-12(14)11(13)6-10/h2-6,8H,7,14H2,1H3
InChIKeyOCOCBJKXIXDISK-UHFFFAOYSA-N
MW316.84 g/mol
LogP2.80
Rot. Bonds4

About 4-amino-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

4-amino-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (PubChem CID 115329710) has the molecular formula C12H13ClN2O2S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is 4-amino-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
PubChem CID115329710
Molecular FormulaC12H13ClN2O2S2
Molecular Weight316.84 g/mol
Exact Mass316.01
IUPAC Name4-amino-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccsc1)S(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C12H13ClN2O2S2/c1-15(7-9-4-5-18-8-9)19(16,17)10-2-3-12(14)11(13)6-10/h2-6,8H,7,14H2,1H3
InChIKeyOCOCBJKXIXDISK-UHFFFAOYSA-N
XLogP2.80
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43527986
4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528520
3-chloro-N,4-dimethyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 9190935
3-amino-4-fluoro-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 115421234
2-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-sulfonamide
CID 43528240
4-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528511
N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421876
N-methyl-4-(methylamino)-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528516
3-(aminomethyl)-4-chloro-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 81452712
4-amino-3-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 115330222
3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528546
(3S)-N,3-dimethyl-2-oxo-N-(thiophen-3-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 9190933

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (CID 115329710) is 4-amino-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is CN(Cc1ccsc1)S(=O)(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The InChIKey is OCOCBJKXIXDISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S2/c1-15(7-9-4-5-18-8-9)19(16,17)10-2-3-12(14)11(13)6-10/h2-6,8H,7,14H2,1H3.
What are the key properties of 4-amino-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
4-amino-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide has a molecular weight of 316.84 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 115329710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).