N-[(1-aminocycloheptyl)methyl]-5-chlorothiophene-2-sulfonamide;hydrochloride

C12H20Cl2N2O2S2 — CID 119998693

IUPACN-[(1-aminocycloheptyl)methyl]-5-chlorothiophene-2-sulfonamide;hydrochloride
SMILESCl.NC1(CNS(=O)(=O)c2ccc(Cl)s2)CCCCCC1
InChIInChI=1S/C12H19ClN2O2S2.ClH/c13-10-5-6-11(18-10)19(16,17)15-9-12(14)7-3-1-2-4-8-12;/h5-6,15H,1-4,7-9,14H2;1H
InChIKeyMFGTYMAXNODGMP-UHFFFAOYSA-N
MW359.34 g/mol
LogP3.15
Rot. Bonds4

About N-[(1-aminocycloheptyl)methyl]-5-chlorothiophene-2-sulfonamide;hydrochloride

N-[(1-aminocycloheptyl)methyl]-5-chlorothiophene-2-sulfonamide;hydrochloride (PubChem CID 119998693) has the molecular formula C12H20Cl2N2O2S2 and a molecular weight of 359.34 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-5-chlorothiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-5-chlorothiophene-2-sulfonamide;hydrochloride
PubChem CID119998693
Molecular FormulaC12H20Cl2N2O2S2
Molecular Weight359.34 g/mol
Exact Mass358.03
IUPAC NameN-[(1-aminocycloheptyl)methyl]-5-chlorothiophene-2-sulfonamide;hydrochloride
SMILESCl.NC1(CNS(=O)(=O)c2ccc(Cl)s2)CCCCCC1
InChIInChI=1S/C12H19ClN2O2S2.ClH/c13-10-5-6-11(18-10)19(16,17)15-9-12(14)7-3-1-2-4-8-12;/h5-6,15H,1-4,7-9,14H2;1H
InChIKeyMFGTYMAXNODGMP-UHFFFAOYSA-N
XLogP3.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119958821
N-[(1-aminocyclobutyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide;hydrochloride
CID 120712728
N-[(1-aminocyclohexyl)methyl]-5-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119958709
N-[(1-aminocyclohexyl)methyl]-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103088835
N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride
CID 119998573
N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119998536
N-[(1-aminocycloheptyl)methyl]-5-bromo-4-methylthiophene-2-sulfonamide
CID 79987960
5-chloro-N-(cyclohexylmethyl)thiophene-2-sulfonamide
CID 6470902
N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119958872
N-[(1-aminocyclohexyl)methyl]-2,4-difluorobenzenesulfonamide;hydrochloride
CID 119958843
N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119958803

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]-5-chlorothiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-5-chlorothiophene-2-sulfonamide;hydrochloride (CID 119998693) is N-[(1-aminocycloheptyl)methyl]-5-chlorothiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-5-chlorothiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-5-chlorothiophene-2-sulfonamide;hydrochloride is Cl.NC1(CNS(=O)(=O)c2ccc(Cl)s2)CCCCCC1.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-5-chlorothiophene-2-sulfonamide;hydrochloride?
The InChIKey is MFGTYMAXNODGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S2.ClH/c13-10-5-6-11(18-10)19(16,17)15-9-12(14)7-3-1-2-4-8-12;/h5-6,15H,1-4,7-9,14H2;1H.
What are the key properties of N-[(1-aminocycloheptyl)methyl]-5-chlorothiophene-2-sulfonamide;hydrochloride?
N-[(1-aminocycloheptyl)methyl]-5-chlorothiophene-2-sulfonamide;hydrochloride has a molecular weight of 359.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]-5-chlorothiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119998693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).