4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide

C15H22ClNO4S — CID 2200633

IUPAC4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CCCCCC2)c(OC)cc1Cl
InChIInChI=1S/C15H22ClNO4S/c1-20-13-10-15(14(21-2)9-12(13)16)22(18,19)17-11-7-5-3-4-6-8-11/h9-11,17H,3-8H2,1-2H3
InChIKeyXHNFGJUOMQCPTG-UHFFFAOYSA-N
MW347.86 g/mol
LogP3.36
Rot. Bonds5

About 4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide

4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide (PubChem CID 2200633) has the molecular formula C15H22ClNO4S and a molecular weight of 347.86 g/mol. Its IUPAC name is 4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide
PubChem CID2200633
Molecular FormulaC15H22ClNO4S
Molecular Weight347.86 g/mol
Exact Mass347.10
IUPAC Name4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NC2CCCCCC2)c(OC)cc1Cl
InChIInChI=1S/C15H22ClNO4S/c1-20-13-10-15(14(21-2)9-12(13)16)22(18,19)17-11-7-5-3-4-6-8-11/h9-11,17H,3-8H2,1-2H3
InChIKeyXHNFGJUOMQCPTG-UHFFFAOYSA-N
XLogP3.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.86
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 6464098
N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide
CID 172906018
2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964367
N-cyclohexyl-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 47314932
5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645
5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
CID 28717716
N-cyclohexyl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 2234313
4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641
N-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide
CID 110758409
4-chloro-2,5-dimethoxy-N-[(3S,4R)-4-methoxyoxolan-3-yl]benzenesulfonamide
CID 131917221
2-chloro-N-[2-(cycloheptylamino)ethyl]-4,5-dimethoxybenzenesulfonamide;hydrochloride
CID 120711359
N-cycloheptyl-2,4-dimethoxy-3-methylbenzenesulfonamide
CID 110758716

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of 4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide (CID 2200633) is 4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for 4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide is COc1cc(S(=O)(=O)NC2CCCCCC2)c(OC)cc1Cl.
What is the InChIKey of 4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide?
The InChIKey is XHNFGJUOMQCPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO4S/c1-20-13-10-15(14(21-2)9-12(13)16)22(18,19)17-11-7-5-3-4-6-8-11/h9-11,17H,3-8H2,1-2H3.
What are the key properties of 4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide?
4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide has a molecular weight of 347.86 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 2200633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).