5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide

C11H15ClN2O4S2 — CID 80742364

IUPAC5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C11H15ClN2O4S2/c1-13(8-5-3-2-4-6-8)20(17,18)10-7-9(14(15)16)11(12)19-10/h7-8H,2-6H2,1H3
InChIKeyMTLXTNGGNBFMHG-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.26
Rot. Bonds4

About 5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide

5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide (PubChem CID 80742364) has the molecular formula C11H15ClN2O4S2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide
PubChem CID80742364
Molecular FormulaC11H15ClN2O4S2
Molecular Weight338.84 g/mol
Exact Mass338.02
IUPAC Name5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C11H15ClN2O4S2/c1-13(8-5-3-2-4-6-8)20(17,18)10-7-9(14(15)16)11(12)19-10/h7-8H,2-6H2,1H3
InChIKeyMTLXTNGGNBFMHG-UHFFFAOYSA-N
XLogP3.26
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80741766
5-chloro-N-(cyclohexylmethyl)-N-methyl-4-nitrothiophene-2-sulfonamide
CID 112729909
5-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-nitrothiophene-2-sulfonamide
CID 102861554
1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 80734863
(2S,6R)-1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-2,6-dimethylpiperidine
CID 104967304
5-chloro-N-ethyl-4-nitro-N-piperidin-4-ylthiophene-2-sulfonamide
CID 80745692
5-chloro-N-cyclopropyl-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80735432
methyl 2-[(5-chloro-4-nitrothiophen-2-yl)sulfonyl-methylamino]acetate
CID 80742032
5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-nitrothiophene-2-sulfonamide
CID 80741851
5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide
CID 83228578
5-chloro-N-methyl-N-(3-methylbutyl)-4-nitrothiophene-2-sulfonamide
CID 80742645
4-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 26965519

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide (CID 80742364) is 5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide is CN(C1CCCCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1.
What is the InChIKey of 5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide?
The InChIKey is MTLXTNGGNBFMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S2/c1-13(8-5-3-2-4-6-8)20(17,18)10-7-9(14(15)16)11(12)19-10/h7-8H,2-6H2,1H3.
What are the key properties of 5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide?
5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide has a molecular weight of 338.84 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80742364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).