N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-2-(methylaminomethyl)thiophene-3-sulfonamide

C13H17ClN2O2S3 — CID 102752488

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C13H17ClN2O2S3/c1-9-8-19-11(6-15-2)13(9)21(17,18)16(3)7-10-4-5-12(14)20-10/h4-5,8,15H,6-7H2,1-3H3
InChIKeyLFAKIDNDCHXHNO-UHFFFAOYSA-N
MW364.95 g/mol
LogP3.31
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-2-(methylaminomethyl)thiophene-3-sulfonamide

N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-2-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 102752488) has the molecular formula C13H17ClN2O2S3 and a molecular weight of 364.95 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-2-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-2-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID102752488
Molecular FormulaC13H17ClN2O2S3
Molecular Weight364.95 g/mol
Exact Mass364.01
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C13H17ClN2O2S3/c1-9-8-19-11(6-15-2)13(9)21(17,18)16(3)7-10-4-5-12(14)20-10/h4-5,8,15H,6-7H2,1-3H3
InChIKeyLFAKIDNDCHXHNO-UHFFFAOYSA-N
XLogP3.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.95
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 3822285
5-chloro-N-((1-(thiophen-2-ylmethyl)piperidin-4-yl)methyl)thiophene-2-sulfonamide
CID 16888298
2-chloro-N-(2-(dimethylamino)-2-(thiophen-3-yl)ethyl)benzenesulfonamide
CID 16932725
5-chloro-N-(2-(dimethylamino)-2-(thiophen-3-yl)ethyl)thiophene-2-sulfonamide
CID 16932756
N-[(5-chlorothiophen-2-yl)methyl]-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 72128219
5-(5-chlorothiophen-2-yl)sulfonyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 2806390
5-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-N-methylbenzenesulfonamide
CID 65780818
3-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 65780824
N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-5-(methylaminomethyl)benzenesulfonamide
CID 65794085
N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 65825560
4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-N-methylbenzenesulfonamide
CID 79179451
N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 79180054

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-2-(methylaminomethyl)thiophene-3-sulfonamide (CID 102752488) is N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-2-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-2-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1scc(C)c1S(=O)(=O)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is LFAKIDNDCHXHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S3/c1-9-8-19-11(6-15-2)13(9)21(17,18)16(3)7-10-4-5-12(14)20-10/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-2-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 364.95 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-2-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102752488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).