N-(1-aminohexan-2-yl)-5-fluoro-2-(methanesulfonamido)benzamide;hydrochloride

C14H23ClFN3O3S — CID 119665057

IUPACN-(1-aminohexan-2-yl)-5-fluoro-2-(methanesulfonamido)benzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cc(F)ccc1NS(C)(=O)=O.Cl
InChIInChI=1S/C14H22FN3O3S.ClH/c1-3-4-5-11(9-16)17-14(19)12-8-10(15)6-7-13(12)18-22(2,20)21;/h6-8,11,18H,3-5,9,16H2,1-2H3,(H,17,19);1H
InChIKeyYZRFXJCPQFLWJV-UHFFFAOYSA-N
MW367.87 g/mol
LogP1.87
Rot. Bonds8

About N-(1-aminohexan-2-yl)-5-fluoro-2-(methanesulfonamido)benzamide;hydrochloride

N-(1-aminohexan-2-yl)-5-fluoro-2-(methanesulfonamido)benzamide;hydrochloride (PubChem CID 119665057) has the molecular formula C14H23ClFN3O3S and a molecular weight of 367.87 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-5-fluoro-2-(methanesulfonamido)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-5-fluoro-2-(methanesulfonamido)benzamide;hydrochloride
PubChem CID119665057
Molecular FormulaC14H23ClFN3O3S
Molecular Weight367.87 g/mol
Exact Mass367.11
IUPAC NameN-(1-aminohexan-2-yl)-5-fluoro-2-(methanesulfonamido)benzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cc(F)ccc1NS(C)(=O)=O.Cl
InChIInChI=1S/C14H22FN3O3S.ClH/c1-3-4-5-11(9-16)17-14(19)12-8-10(15)6-7-13(12)18-22(2,20)21;/h6-8,11,18H,3-5,9,16H2,1-2H3,(H,17,19);1H
InChIKeyYZRFXJCPQFLWJV-UHFFFAOYSA-N
XLogP1.87
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.87
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 80698461
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N-(1-aminohexan-2-yl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride
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N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 113281709
N-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride
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CID 119665027
N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide
CID 119665949
N-(1-aminohexan-2-yl)-3-(methanesulfonamido)-4,5-dimethoxybenzamide;hydrochloride
CID 119665737
N-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride
CID 119667537
N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119666621
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CID 119664829
N-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride
CID 119667367

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-5-fluoro-2-(methanesulfonamido)benzamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-5-fluoro-2-(methanesulfonamido)benzamide;hydrochloride (CID 119665057) is N-(1-aminohexan-2-yl)-5-fluoro-2-(methanesulfonamido)benzamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-5-fluoro-2-(methanesulfonamido)benzamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-5-fluoro-2-(methanesulfonamido)benzamide;hydrochloride is CCCCC(CN)NC(=O)c1cc(F)ccc1NS(C)(=O)=O.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-5-fluoro-2-(methanesulfonamido)benzamide;hydrochloride?
The InChIKey is YZRFXJCPQFLWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O3S.ClH/c1-3-4-5-11(9-16)17-14(19)12-8-10(15)6-7-13(12)18-22(2,20)21;/h6-8,11,18H,3-5,9,16H2,1-2H3,(H,17,19);1H.
What are the key properties of N-(1-aminohexan-2-yl)-5-fluoro-2-(methanesulfonamido)benzamide;hydrochloride?
N-(1-aminohexan-2-yl)-5-fluoro-2-(methanesulfonamido)benzamide;hydrochloride has a molecular weight of 367.87 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-5-fluoro-2-(methanesulfonamido)benzamide;hydrochloride is sourced from PubChem (CID 119665057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).