5-chloro-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide

C12H19ClN2O2S2 — CID 103100529

IUPAC5-chloro-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC2(C)CCNCC2)sc1Cl
InChIInChI=1S/C12H19ClN2O2S2/c1-9-7-10(18-11(9)13)19(16,17)15-8-12(2)3-5-14-6-4-12/h7,14-15H,3-6,8H2,1-2H3
InChIKeyBZYHEXXNWRTLIN-UHFFFAOYSA-N
MW322.88 g/mol
LogP2.38
Rot. Bonds4

About 5-chloro-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide

5-chloro-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 103100529) has the molecular formula C12H19ClN2O2S2 and a molecular weight of 322.88 g/mol. Its IUPAC name is 5-chloro-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID103100529
Molecular FormulaC12H19ClN2O2S2
Molecular Weight322.88 g/mol
Exact Mass322.06
IUPAC Name5-chloro-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC2(C)CCNCC2)sc1Cl
InChIInChI=1S/C12H19ClN2O2S2/c1-9-7-10(18-11(9)13)19(16,17)15-8-12(2)3-5-14-6-4-12/h7,14-15H,3-6,8H2,1-2H3
InChIKeyBZYHEXXNWRTLIN-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-aminocyclobutyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride
CID 120712728
5-chloro-4-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 103100386
5-chloro-4-methyl-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 103100358
2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720191
5-chloro-4-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-sulfonamide;hydrochloride
CID 120721094
4-fluoro-3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720559
5-chloro-N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-2-sulfonamide
CID 120714003
4-fluoro-3-methyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 120719852
5-chloro-4-methyl-N-(2-piperidin-3-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 120710051
N-(2-amino-2-ethylbutyl)-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride
CID 120711958
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 103099583
N-(4-bromobutyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 106846774

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide (CID 103100529) is 5-chloro-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCC2(C)CCNCC2)sc1Cl.
What is the InChIKey of 5-chloro-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is BZYHEXXNWRTLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S2/c1-9-7-10(18-11(9)13)19(16,17)15-8-12(2)3-5-14-6-4-12/h7,14-15H,3-6,8H2,1-2H3.
What are the key properties of 5-chloro-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
5-chloro-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 322.88 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 103100529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).