N-(4-aminocyclohexyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide

C12H19ClN2O2S2 — CID 103099464

IUPACN-(4-aminocyclohexyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2CCC(N)CC2)sc1Cl
InChIInChI=1S/C12H19ClN2O2S2/c1-8-7-11(18-12(8)13)19(16,17)15(2)10-5-3-9(14)4-6-10/h7,9-10H,3-6,14H2,1-2H3
InChIKeyQHOJQEGWJMYMFC-UHFFFAOYSA-N
MW322.88 g/mol
LogP2.60
Rot. Bonds3

About N-(4-aminocyclohexyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide

N-(4-aminocyclohexyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide (PubChem CID 103099464) has the molecular formula C12H19ClN2O2S2 and a molecular weight of 322.88 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
PubChem CID103099464
Molecular FormulaC12H19ClN2O2S2
Molecular Weight322.88 g/mol
Exact Mass322.06
IUPAC NameN-(4-aminocyclohexyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2CCC(N)CC2)sc1Cl
InChIInChI=1S/C12H19ClN2O2S2/c1-8-7-11(18-12(8)13)19(16,17)15(2)10-5-3-9(14)4-6-10/h7,9-10H,3-6,14H2,1-2H3
InChIKeyQHOJQEGWJMYMFC-UHFFFAOYSA-N
XLogP2.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-5-chloro-N-ethyl-4-methylthiophene-2-sulfonamide
CID 103100478
N-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103100467
N-(4-aminocyclohexyl)-N,5-dimethylthiophene-2-sulfonamide
CID 79120828
N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide
CID 79121392
N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide
CID 79121472
5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80741766
N-(4-aminocyclohexyl)-3,5-dichloro-N-methylbenzenesulfonamide
CID 79120752
5-chloro-N-cyclopropyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106631230
N-(4-aminocyclohexyl)-4-bromo-2,6-dichloro-N-methylbenzenesulfonamide
CID 79113443
N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 79121895
(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 103100505
5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106630812

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide (CID 103099464) is N-(4-aminocyclohexyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N(C)C2CCC(N)CC2)sc1Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide?
The InChIKey is QHOJQEGWJMYMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S2/c1-8-7-11(18-12(8)13)19(16,17)15(2)10-5-3-9(14)4-6-10/h7,9-10H,3-6,14H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide?
N-(4-aminocyclohexyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide has a molecular weight of 322.88 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 103099464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).