N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide

C20H25ClN2O4S — CID 46600294

IUPACN-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)COc1ccc(NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cc1Cl
InChIInChI=1S/C20H25ClN2O4S/c1-13(2)12-27-19-9-8-16(11-18(19)21)22-20(24)15-6-5-7-17(10-15)28(25,26)23-14(3)4/h5-11,13-14,23H,12H2,1-4H3,(H,22,24)
InChIKeyRCTFDGNFQSUERV-UHFFFAOYSA-N
MW424.95 g/mol
LogP4.31
Rot. Bonds8

About N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide

N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 46600294) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID46600294
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC NameN-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)COc1ccc(NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cc1Cl
InChIInChI=1S/C20H25ClN2O4S/c1-13(2)12-27-19-9-8-16(11-18(19)21)22-20(24)15-6-5-7-17(10-15)28(25,26)23-14(3)4/h5-11,13-14,23H,12H2,1-4H3,(H,22,24)
InChIKeyRCTFDGNFQSUERV-UHFFFAOYSA-N
XLogP4.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
3-chloro-N-[2-[3-chloro-4-(2-methylpropoxy)anilino]-2-oxoethyl]benzamide
CID 55599525
N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide
CID 27256046
N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55635317
(2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide
CID 119285034
3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26698538
3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 55991701
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 30880575
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-5-sulfamoylbenzamide
CID 55599362
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119715596
N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 26166788
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide
CID 1265933

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide (CID 46600294) is N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide is CC(C)COc1ccc(NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is RCTFDGNFQSUERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-13(2)12-27-19-9-8-16(11-18(19)21)22-20(24)15-6-5-7-17(10-15)28(25,26)23-14(3)4/h5-11,13-14,23H,12H2,1-4H3,(H,22,24).
What are the key properties of N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide?
N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 424.95 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 46600294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).