N-cycloheptyl-2,4-dimethoxy-3-methylbenzenesulfonamide

C16H25NO4S — CID 110758716

IUPACN-cycloheptyl-2,4-dimethoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCCCC2)c(OC)c1C
InChIInChI=1S/C16H25NO4S/c1-12-14(20-2)10-11-15(16(12)21-3)22(18,19)17-13-8-6-4-5-7-9-13/h10-11,13,17H,4-9H2,1-3H3
InChIKeyUSVUVXFQTKOZGM-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.01
Rot. Bonds5

About N-cycloheptyl-2,4-dimethoxy-3-methylbenzenesulfonamide

N-cycloheptyl-2,4-dimethoxy-3-methylbenzenesulfonamide (PubChem CID 110758716) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-cycloheptyl-2,4-dimethoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-2,4-dimethoxy-3-methylbenzenesulfonamide
PubChem CID110758716
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC NameN-cycloheptyl-2,4-dimethoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCCCC2)c(OC)c1C
InChIInChI=1S/C16H25NO4S/c1-12-14(20-2)10-11-15(16(12)21-3)22(18,19)17-13-8-6-4-5-7-9-13/h10-11,13,17H,4-9H2,1-3H3
InChIKeyUSVUVXFQTKOZGM-UHFFFAOYSA-N
XLogP3.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 2234313
N-cyclopentyl-4-methoxynaphthalene-1-sulfonamide
CID 7314514
N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide
CID 172906018
N-cyclohexyl-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 47314932
N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 6464098
5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
CID 28717716
N-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide
CID 110758409
4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641
4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide
CID 2200633
3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide
CID 43105855
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945
N-cyclopentyl-2-methoxy-5-(2-methylthiophen-3-yl)benzenesulfonamide
CID 122191055

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2,4-dimethoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-cycloheptyl-2,4-dimethoxy-3-methylbenzenesulfonamide (CID 110758716) is N-cycloheptyl-2,4-dimethoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-cycloheptyl-2,4-dimethoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-cycloheptyl-2,4-dimethoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCCCCC2)c(OC)c1C.
What is the InChIKey of N-cycloheptyl-2,4-dimethoxy-3-methylbenzenesulfonamide?
The InChIKey is USVUVXFQTKOZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-12-14(20-2)10-11-15(16(12)21-3)22(18,19)17-13-8-6-4-5-7-9-13/h10-11,13,17H,4-9H2,1-3H3.
What are the key properties of N-cycloheptyl-2,4-dimethoxy-3-methylbenzenesulfonamide?
N-cycloheptyl-2,4-dimethoxy-3-methylbenzenesulfonamide has a molecular weight of 327.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2,4-dimethoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 110758716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).