N-[4-[2-(propan-2-ylamino)acetyl]phenyl]methanesulfonamide;hydrochloride

C12H19ClN2O3S — CID 45357491

IUPACN-[4-[2-(propan-2-ylamino)acetyl]phenyl]methanesulfonamide;hydrochloride
SMILESCC(C)NCC(=O)c1ccc(NS(C)(=O)=O)cc1.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17;/h4-7,9,13-14H,8H2,1-3H3;1H
InChIKeyPGJCHLFPMKTGCD-UHFFFAOYSA-N
MW306.81 g/mol
LogP1.66
Rot. Bonds6

About N-[4-[2-(propan-2-ylamino)acetyl]phenyl]methanesulfonamide;hydrochloride

N-[4-[2-(propan-2-ylamino)acetyl]phenyl]methanesulfonamide;hydrochloride (PubChem CID 45357491) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is N-[4-[2-(propan-2-ylamino)acetyl]phenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(propan-2-ylamino)acetyl]phenyl]methanesulfonamide;hydrochloride
PubChem CID45357491
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC NameN-[4-[2-(propan-2-ylamino)acetyl]phenyl]methanesulfonamide;hydrochloride
SMILESCC(C)NCC(=O)c1ccc(NS(C)(=O)=O)cc1.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17;/h4-7,9,13-14H,8H2,1-3H3;1H
InChIKeyPGJCHLFPMKTGCD-UHFFFAOYSA-N
XLogP1.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(1-hydroxypropan-2-ylamino)acetyl]phenyl]methanesulfonamide
CID 69027869
1-(4-ethylsulfonylphenyl)-2-(propan-2-ylamino)ethanone
CID 98033361
N-[4-[(2S)-2-(diethylamino)propanoyl]phenyl]methanesulfonamide;hydrochloride
CID 22792478
N-(4-heptanoylphenyl)methanesulfonamide
CID 114752118
N-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide
CID 61274883
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide
CID 43339023
N-[4-(2-methylhexanoyl)phenyl]methanesulfonamide
CID 114246123
N-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide
CID 43573520
N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide
CID 43161143
N-[1-(hydroxymethyl)cyclobutyl]-4-(methanesulfonamido)benzamide
CID 115877995
N-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide
CID 43392916
N-[4-[2-[2-(2-oxoquinolin-1-yl)propylamino]acetyl]phenyl]methanesulfonamide
CID 57030227

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(propan-2-ylamino)acetyl]phenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[4-[2-(propan-2-ylamino)acetyl]phenyl]methanesulfonamide;hydrochloride (CID 45357491) is N-[4-[2-(propan-2-ylamino)acetyl]phenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(propan-2-ylamino)acetyl]phenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[4-[2-(propan-2-ylamino)acetyl]phenyl]methanesulfonamide;hydrochloride is CC(C)NCC(=O)c1ccc(NS(C)(=O)=O)cc1.Cl.
What is the InChIKey of N-[4-[2-(propan-2-ylamino)acetyl]phenyl]methanesulfonamide;hydrochloride?
The InChIKey is PGJCHLFPMKTGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S.ClH/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17;/h4-7,9,13-14H,8H2,1-3H3;1H.
What are the key properties of N-[4-[2-(propan-2-ylamino)acetyl]phenyl]methanesulfonamide;hydrochloride?
N-[4-[2-(propan-2-ylamino)acetyl]phenyl]methanesulfonamide;hydrochloride has a molecular weight of 306.81 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(propan-2-ylamino)acetyl]phenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 45357491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).