N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide

C17H27NO3S — CID 35202091

IUPACN-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C
InChIInChI=1S/C17H27NO3S/c1-3-12-21-17-11-10-16(13-14(17)2)22(19,20)18-15-8-6-4-5-7-9-15/h10-11,13,15,18H,3-9,12H2,1-2H3
InChIKeyUBCAXJBJHSAMCG-UHFFFAOYSA-N
MW325.47 g/mol
LogP3.78
Rot. Bonds6

About N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide

N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide (PubChem CID 35202091) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide
PubChem CID35202091
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC NameN-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C
InChIInChI=1S/C17H27NO3S/c1-3-12-21-17-11-10-16(13-14(17)2)22(19,20)18-15-8-6-4-5-7-9-15/h10-11,13,15,18H,3-9,12H2,1-2H3
InChIKeyUBCAXJBJHSAMCG-UHFFFAOYSA-N
XLogP3.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexyl-2-hydroxyethyl)-3-methyl-4-propoxybenzenesulfonamide
CID 90498901
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide
CID 3634459
3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597538
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 30126245
4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545155
N-(1-cyclopropylpiperidin-4-yl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 55639325
N-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide
CID 95864987
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide
CID 3657367
N-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
CID 2237026
N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
CID 100796699
5-chloro-N-cyclopentyl-4-methyl-2-propoxybenzenesulfonamide
CID 7314568
4-chloro-N-cyclohexyl-3-ethoxybenzenesulfonamide
CID 25248820

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide?
The IUPAC name of N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide (CID 35202091) is N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide.
What is the SMILES notation for N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide?
The canonical SMILES for N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide is CCCOc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C.
What is the InChIKey of N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide?
The InChIKey is UBCAXJBJHSAMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-3-12-21-17-11-10-16(13-14(17)2)22(19,20)18-15-8-6-4-5-7-9-15/h10-11,13,15,18H,3-9,12H2,1-2H3.
What are the key properties of N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide?
N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide has a molecular weight of 325.47 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide is sourced from PubChem (CID 35202091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).