N-[2-chloro-4-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methanesulfonamide

C12H19ClN2O3S — CID 65337880

IUPACN-[2-chloro-4-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methanesulfonamide
SMILESCC(Nc1ccc(NS(C)(=O)=O)c(Cl)c1)C(C)(C)O
InChIInChI=1S/C12H19ClN2O3S/c1-8(12(2,3)16)14-9-5-6-11(10(13)7-9)15-19(4,17)18/h5-8,14-16H,1-4H3
InChIKeyVWWHLXWIMVVLBY-UHFFFAOYSA-N
MW306.82 g/mol
LogP2.28
Rot. Bonds5

About N-[2-chloro-4-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methanesulfonamide

N-[2-chloro-4-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methanesulfonamide (PubChem CID 65337880) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.82 g/mol. Its IUPAC name is N-[2-chloro-4-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methanesulfonamide
PubChem CID65337880
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.82 g/mol
Exact Mass306.08
IUPAC NameN-[2-chloro-4-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methanesulfonamide
SMILESCC(Nc1ccc(NS(C)(=O)=O)c(Cl)c1)C(C)(C)O
InChIInChI=1S/C12H19ClN2O3S/c1-8(12(2,3)16)14-9-5-6-11(10(13)7-9)15-19(4,17)18/h5-8,14-16H,1-4H3
InChIKeyVWWHLXWIMVVLBY-UHFFFAOYSA-N
XLogP2.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-4-(propan-2-ylamino)phenyl]methanesulfonamide
CID 43744799
N-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide
CID 43744787
3-(3,4-dichloroanilino)-2-methylbutan-2-ol
CID 65333174
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide
CID 43711074
(2R)-2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3,3-dimethylbutanamide
CID 103928886
N-[2-chloro-4-(hex-5-en-2-ylamino)phenyl]methanesulfonamide
CID 86790165
3-[3-chloro-4-(dimethylamino)anilino]-2-methylbutan-2-ol
CID 65338206
2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide
CID 62855661
N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide
CID 47030973
2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide
CID 65337999
N-[2-chloro-4-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide
CID 106675322

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-4-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methanesulfonamide (CID 65337880) is N-[2-chloro-4-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-4-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-4-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methanesulfonamide is CC(Nc1ccc(NS(C)(=O)=O)c(Cl)c1)C(C)(C)O.
What is the InChIKey of N-[2-chloro-4-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methanesulfonamide?
The InChIKey is VWWHLXWIMVVLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-8(12(2,3)16)14-9-5-6-11(10(13)7-9)15-19(4,17)18/h5-8,14-16H,1-4H3.
What are the key properties of N-[2-chloro-4-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methanesulfonamide?
N-[2-chloro-4-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methanesulfonamide has a molecular weight of 306.82 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 65337880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).