N-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide

C14H21ClN2O2S — CID 63258487

IUPACN-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCCC2N)c(Cl)c1
InChIInChI=1S/C14H21ClN2O2S/c1-10-7-8-14(11(15)9-10)20(18,19)17-13-6-4-2-3-5-12(13)16/h7-9,12-13,17H,2-6,16H2,1H3
InChIKeyDTGZDCCCCBNJER-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.59
Rot. Bonds3

About N-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide

N-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide (PubChem CID 63258487) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide
PubChem CID63258487
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC NameN-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCCC2N)c(Cl)c1
InChIInChI=1S/C14H21ClN2O2S/c1-10-7-8-14(11(15)9-10)20(18,19)17-13-6-4-2-3-5-12(13)16/h7-9,12-13,17H,2-6,16H2,1H3
InChIKeyDTGZDCCCCBNJER-UHFFFAOYSA-N
XLogP2.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide
CID 63252483
N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide
CID 93453140
4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 60640100
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dichlorobenzenesulfonamide
CID 93453493
2-amino-N-(2-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 55063930
N-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide
CID 106862132
N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide
CID 106367713
N-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704769
N-(2-aminocyclopentyl)-4-chloro-2-methoxybenzenesulfonamide
CID 63252482
N-[2-(aminomethyl)cyclopentyl]-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119985581
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide
CID 106358830

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide (CID 63258487) is N-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCCCC2N)c(Cl)c1.
What is the InChIKey of N-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide?
The InChIKey is DTGZDCCCCBNJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-10-7-8-14(11(15)9-10)20(18,19)17-13-6-4-2-3-5-12(13)16/h7-9,12-13,17H,2-6,16H2,1H3.
What are the key properties of N-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide?
N-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide is sourced from PubChem (CID 63258487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).