4-tert-butyl-N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-2-hydroxybenzamide

C19H23ClN2O4S — CID 146649271

IUPAC4-tert-butyl-N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-2-hydroxybenzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2Cl)c(O)c1
InChIInChI=1S/C19H23ClN2O4S/c1-19(2,3)13-6-8-15(17(23)9-13)18(24)21-11-12-5-7-14(10-16(12)20)22-27(4,25)26/h5-10,22-23H,11H2,1-4H3,(H,21,24)
InChIKeySFCOQHUKCOVYQH-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.64
Rot. Bonds5

About 4-tert-butyl-N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-2-hydroxybenzamide

4-tert-butyl-N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-2-hydroxybenzamide (PubChem CID 146649271) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 4-tert-butyl-N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-2-hydroxybenzamide
PubChem CID146649271
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name4-tert-butyl-N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-2-hydroxybenzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2Cl)c(O)c1
InChIInChI=1S/C19H23ClN2O4S/c1-19(2,3)13-6-8-15(17(23)9-13)18(24)21-11-12-5-7-14(10-16(12)20)22-27(4,25)26/h5-10,22-23H,11H2,1-4H3,(H,21,24)
InChIKeySFCOQHUKCOVYQH-UHFFFAOYSA-N
XLogP3.64
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 38003506
N-[(2,4-dichlorophenyl)methyl]-2-(methanesulfonamido)benzamide
CID 31321210
2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide
CID 43908500
N-[(4-bromo-2-chlorophenyl)methyl]-4-tert-butylbenzamide
CID 171934642
2-chloro-N-(2-ethylhexyl)-4-(methanesulfonamido)benzamide
CID 133239724
2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92682038
2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide
CID 53283727
2-chloro-N-(3-ethoxypropyl)-4-(methanesulfonamido)benzamide
CID 92686029
1-(4-tert-butyl-2-hydroxyphenyl)-3-[2-chloro-4-(methylsulfonylmethyl)phenyl]propan-1-one
CID 160623935
2-chloro-4-(methanesulfonamido)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]benzamide
CID 92680149
1-[[4-tert-butyl-2-(2-methoxyethoxy)phenyl]methyl]-3-[[4-(methanesulfonamido)phenyl]methyl]thiourea
CID 10277449
2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide
CID 133239711

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-2-hydroxybenzamide?
The IUPAC name of 4-tert-butyl-N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-2-hydroxybenzamide (CID 146649271) is 4-tert-butyl-N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-2-hydroxybenzamide.
What is the SMILES notation for 4-tert-butyl-N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-2-hydroxybenzamide?
The canonical SMILES for 4-tert-butyl-N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-2-hydroxybenzamide is CC(C)(C)c1ccc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2Cl)c(O)c1.
What is the InChIKey of 4-tert-butyl-N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-2-hydroxybenzamide?
The InChIKey is SFCOQHUKCOVYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-19(2,3)13-6-8-15(17(23)9-13)18(24)21-11-12-5-7-14(10-16(12)20)22-27(4,25)26/h5-10,22-23H,11H2,1-4H3,(H,21,24).
What are the key properties of 4-tert-butyl-N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-2-hydroxybenzamide?
4-tert-butyl-N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-2-hydroxybenzamide has a molecular weight of 410.92 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-2-hydroxybenzamide is sourced from PubChem (CID 146649271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).