4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide

C12H16ClNO4S — CID 43500892

IUPAC4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide
SMILESCC(C)(CO)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1
InChIInChI=1S/C12H16ClNO4S/c1-12(2,7-15)14-11(16)8-4-5-9(13)10(6-8)19(3,17)18/h4-6,15H,7H2,1-3H3,(H,14,16)
InChIKeySRSJOBRAPZCKSU-UHFFFAOYSA-N
MW305.78 g/mol
LogP1.24
Rot. Bonds4

About 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide

4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide (PubChem CID 43500892) has the molecular formula C12H16ClNO4S and a molecular weight of 305.78 g/mol. Its IUPAC name is 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide
PubChem CID43500892
Molecular FormulaC12H16ClNO4S
Molecular Weight305.78 g/mol
Exact Mass305.05
IUPAC Name4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide
SMILESCC(C)(CO)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1
InChIInChI=1S/C12H16ClNO4S/c1-12(2,7-15)14-11(16)8-4-5-9(13)10(6-8)19(3,17)18/h4-6,15H,7H2,1-3H3,(H,14,16)
InChIKeySRSJOBRAPZCKSU-UHFFFAOYSA-N
XLogP1.24
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide
CID 70598414
3-[(4-chloro-3-methylsulfonylbenzoyl)amino]-3-methylbutanoic acid
CID 64670702
4-chloro-3-methylsulfonylbenzohydrazide
CID 43091103
3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944746
3-[(4-chloro-3-methylsulfonylbenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368933
4-chloro-3-methylsulfonyl-N-(2,2,2-trifluoroethoxy)benzamide
CID 81342910
4-chloro-N-[(2S)-2-hydroxypropyl]-3-methylsulfonylbenzamide
CID 83059203
4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide
CID 17456227
4-chloro-N-[2-(2-methylpropanoylamino)ethyl]-3-methylsulfonylbenzamide
CID 32969715
N-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide
CID 43392916
5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498518
4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylbenzamide
CID 103769758

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide (CID 43500892) is 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide is CC(C)(CO)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide?
The InChIKey is SRSJOBRAPZCKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S/c1-12(2,7-15)14-11(16)8-4-5-9(13)10(6-8)19(3,17)18/h4-6,15H,7H2,1-3H3,(H,14,16).
What are the key properties of 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide?
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide has a molecular weight of 305.78 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 43500892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).