2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide

C19H23ClN2O5S — CID 55345679

IUPAC2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCOc1cc(NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)cc(OC)c1
InChIInChI=1S/C19H23ClN2O5S/c1-12(2)22(3)28(24,25)16-6-7-18(20)17(11-16)19(23)21-13-8-14(26-4)10-15(9-13)27-5/h6-12H,1-5H3,(H,21,23)
InChIKeySNMFYNXJBTVYAG-UHFFFAOYSA-N
MW426.92 g/mol
LogP3.64
Rot. Bonds7

About 2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide

2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 55345679) has the molecular formula C19H23ClN2O5S and a molecular weight of 426.92 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID55345679
Molecular FormulaC19H23ClN2O5S
Molecular Weight426.92 g/mol
Exact Mass426.10
IUPAC Name2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCOc1cc(NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)cc(OC)c1
InChIInChI=1S/C19H23ClN2O5S/c1-12(2)22(3)28(24,25)16-6-7-18(20)17(11-16)19(23)21-13-8-14(26-4)10-15(9-13)27-5/h6-12H,1-5H3,(H,21,23)
InChIKeySNMFYNXJBTVYAG-UHFFFAOYSA-N
XLogP3.64
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55887552
2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-[4-(triazol-2-yl)phenyl]benzamide
CID 78885098
2-chloro-N-[2-(difluoromethoxy)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55332147
2-chloro-N-[2-(2-methoxyphenoxy)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46558858
2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide
CID 107020390
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363704
2-chloro-N-(4,6-dimethyl-2-pyridinyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 75469577
2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 51286285
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55340947
2-chloro-N-[3-(1,3-dithiolan-2-yl)phenyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35852240
2-chloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46448530
methyl 1-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate
CID 55571977

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 55345679) is 2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide is COc1cc(NC(=O)c2cc(S(=O)(=O)N(C)C(C)C)ccc2Cl)cc(OC)c1.
What is the InChIKey of 2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is SNMFYNXJBTVYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5S/c1-12(2)22(3)28(24,25)16-6-7-18(20)17(11-16)19(23)21-13-8-14(26-4)10-15(9-13)27-5/h6-12H,1-5H3,(H,21,23).
What are the key properties of 2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide?
2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 426.92 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 55345679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).