3-[(4-propan-2-yloxyphenyl)carbamoyl]benzenesulfonyl chloride

C16H16ClNO4S — CID 86649791

IUPAC3-[(4-propan-2-yloxyphenyl)carbamoyl]benzenesulfonyl chloride
SMILESCC(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)Cl)c2)cc1
InChIInChI=1S/C16H16ClNO4S/c1-11(2)22-14-8-6-13(7-9-14)18-16(19)12-4-3-5-15(10-12)23(17,20)21/h3-11H,1-2H3,(H,18,19)
InChIKeyUTYIKLUPFUXKAW-UHFFFAOYSA-N
MW353.83 g/mol
LogP3.65
Rot. Bonds5

About 3-[(4-propan-2-yloxyphenyl)carbamoyl]benzenesulfonyl chloride

3-[(4-propan-2-yloxyphenyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 86649791) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is 3-[(4-propan-2-yloxyphenyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-[(4-propan-2-yloxyphenyl)carbamoyl]benzenesulfonyl chloride
PubChem CID86649791
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Name3-[(4-propan-2-yloxyphenyl)carbamoyl]benzenesulfonyl chloride
SMILESCC(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)Cl)c2)cc1
InChIInChI=1S/C16H16ClNO4S/c1-11(2)22-14-8-6-13(7-9-14)18-16(19)12-4-3-5-15(10-12)23(17,20)21/h3-11H,1-2H3,(H,18,19)
InChIKeyUTYIKLUPFUXKAW-UHFFFAOYSA-N
XLogP3.65
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 66872671
3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057469
3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109056925
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
3-(3-methoxypiperidin-1-yl)sulfonyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 66872388
N-[4-(diethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17142416
3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 17142916
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
3-methyl-N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]benzamide
CID 54822485
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
N-(3,5-dichlorophenyl)-3-propan-2-yloxybenzamide
CID 4318037
N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-yloxyphenyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 3-[(4-propan-2-yloxyphenyl)carbamoyl]benzenesulfonyl chloride (CID 86649791) is 3-[(4-propan-2-yloxyphenyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 3-[(4-propan-2-yloxyphenyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 3-[(4-propan-2-yloxyphenyl)carbamoyl]benzenesulfonyl chloride is CC(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)Cl)c2)cc1.
What is the InChIKey of 3-[(4-propan-2-yloxyphenyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is UTYIKLUPFUXKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-11(2)22-14-8-6-13(7-9-14)18-16(19)12-4-3-5-15(10-12)23(17,20)21/h3-11H,1-2H3,(H,18,19).
What are the key properties of 3-[(4-propan-2-yloxyphenyl)carbamoyl]benzenesulfonyl chloride?
3-[(4-propan-2-yloxyphenyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 353.83 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-yloxyphenyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 86649791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).