N-(3-amino-2,2-difluoropropyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride

C14H20Cl2F2N2O3S — CID 120713028

IUPACN-(3-amino-2,2-difluoropropyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride
SMILESCl.NCC(F)(F)CNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1
InChIInChI=1S/C14H19ClF2N2O3S.ClH/c15-11-4-5-12(22-7-10-2-1-3-10)13(6-11)23(20,21)19-9-14(16,17)8-18;/h4-6,10,19H,1-3,7-9,18H2;1H
InChIKeyBVCHMCSOJWVNFE-UHFFFAOYSA-N
MW405.29 g/mol
LogP2.81
Rot. Bonds8

About N-(3-amino-2,2-difluoropropyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride

N-(3-amino-2,2-difluoropropyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride (PubChem CID 120713028) has the molecular formula C14H20Cl2F2N2O3S and a molecular weight of 405.29 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride
PubChem CID120713028
Molecular FormulaC14H20Cl2F2N2O3S
Molecular Weight405.29 g/mol
Exact Mass404.05
IUPAC NameN-(3-amino-2,2-difluoropropyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride
SMILESCl.NCC(F)(F)CNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1
InChIInChI=1S/C14H19ClF2N2O3S.ClH/c15-11-4-5-12(22-7-10-2-1-3-10)13(6-11)23(20,21)19-9-14(16,17)8-18;/h4-6,10,19H,1-3,7-9,18H2;1H
InChIKeyBVCHMCSOJWVNFE-UHFFFAOYSA-N
XLogP2.81
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride (CID 120713028) is N-(3-amino-2,2-difluoropropyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride is Cl.NCC(F)(F)CNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride?
The InChIKey is BVCHMCSOJWVNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF2N2O3S.ClH/c15-11-4-5-12(22-7-10-2-1-3-10)13(6-11)23(20,21)19-9-14(16,17)8-18;/h4-6,10,19H,1-3,7-9,18H2;1H.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride?
N-(3-amino-2,2-difluoropropyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride has a molecular weight of 405.29 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120713028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).