N-[2-chloro-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide

C12H19ClN2O3S — CID 162345152

IUPACN-[2-chloro-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide
SMILESCC(C)NCC(O)c1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C12H19ClN2O3S/c1-8(2)14-7-12(16)9-4-5-11(10(13)6-9)15-19(3,17)18/h4-6,8,12,14-16H,7H2,1-3H3
InChIKeyGFLNEYSEGMKZOG-UHFFFAOYSA-N
MW306.82 g/mol
LogP1.74
Rot. Bonds6

About N-[2-chloro-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide

N-[2-chloro-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide (PubChem CID 162345152) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.82 g/mol. Its IUPAC name is N-[2-chloro-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide
PubChem CID162345152
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.82 g/mol
Exact Mass306.08
IUPAC NameN-[2-chloro-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide
SMILESCC(C)NCC(O)c1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C12H19ClN2O3S/c1-8(2)14-7-12(16)9-4-5-11(10(13)6-9)15-19(3,17)18/h4-6,8,12,14-16H,7H2,1-3H3
InChIKeyGFLNEYSEGMKZOG-UHFFFAOYSA-N
XLogP1.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 83240387
N-[5-(2-bromo-1-hydroxyethyl)-2-chlorophenyl]methanesulfonamide
CID 18615156
N-[5-[(1R)-2-bromo-1-hydroxyethyl]-2-chlorophenyl]methanesulfonamide
CID 54553582
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
N-[2-chloro-4-(propan-2-ylamino)phenyl]methanesulfonamide
CID 43744799
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
N-[2-hydroxy-5-[1-hydroxy-2-[4-[[2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]butylamino]ethyl]phenyl]methanesulfonamide;dihydrochloride
CID 21438072
3-chloro-4-(methanesulfonamido)-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 93486317
N-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide
CID 43744787
N-butan-2-yl-3-chloro-4-(methanesulfonamido)benzamide
CID 46763289
4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
CID 76959355
1-(3,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 62773929

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide (CID 162345152) is N-[2-chloro-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide is CC(C)NCC(O)c1ccc(NS(C)(=O)=O)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide?
The InChIKey is GFLNEYSEGMKZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-8(2)14-7-12(16)9-4-5-11(10(13)6-9)15-19(3,17)18/h4-6,8,12,14-16H,7H2,1-3H3.
What are the key properties of N-[2-chloro-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide?
N-[2-chloro-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide has a molecular weight of 306.82 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 162345152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).