3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide

C12H18ClNO3S — CID 113351322

IUPAC3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N(C)C(C)(C)CO
InChIInChI=1S/C12H18ClNO3S/c1-9-10(13)6-5-7-11(9)18(16,17)14(4)12(2,3)8-15/h5-7,15H,8H2,1-4H3
InChIKeyHMTBLCDCGCQJRB-UHFFFAOYSA-N
MW291.80 g/mol
LogP2.04
Rot. Bonds4

About 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide

3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide (PubChem CID 113351322) has the molecular formula C12H18ClNO3S and a molecular weight of 291.80 g/mol. Its IUPAC name is 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide
PubChem CID113351322
Molecular FormulaC12H18ClNO3S
Molecular Weight291.80 g/mol
Exact Mass291.07
IUPAC Name3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N(C)C(C)(C)CO
InChIInChI=1S/C12H18ClNO3S/c1-9-10(13)6-5-7-11(9)18(16,17)14(4)12(2,3)8-15/h5-7,15H,8H2,1-4H3
InChIKeyHMTBLCDCGCQJRB-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2,6-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
CID 115902770
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 115902653
N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 115902733
N-(1-hydroxy-2-methylpropan-2-yl)-N-methylquinoline-5-sulfonamide
CID 115902785
2,5-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-3-sulfonamide
CID 113351327
3-chloro-N-cyclopentyl-N,2-dimethylbenzenesulfonamide
CID 112823940
2-(aminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-3-sulfonamide
CID 106594895
3-chloro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118279
3-N-(1-hydroxy-2-methylpropan-2-yl)-3-N-methylbenzene-1,3-disulfonamide
CID 115902668
2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol
CID 117288137
4-[[(3-chloro-2-methylphenyl)sulfonyl-methylamino]methyl]benzamide
CID 39634418
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 65314246

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide (CID 113351322) is 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)N(C)C(C)(C)CO.
What is the InChIKey of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is HMTBLCDCGCQJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3S/c1-9-10(13)6-5-7-11(9)18(16,17)14(4)12(2,3)8-15/h5-7,15H,8H2,1-4H3.
What are the key properties of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide?
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide has a molecular weight of 291.80 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 113351322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).