4-(3-chloro-4-methylphenoxy)-3-(dimethylcarbamoyl)benzenesulfonyl chloride

C16H15Cl2NO4S — CID 89370375

IUPAC4-(3-chloro-4-methylphenoxy)-3-(dimethylcarbamoyl)benzenesulfonyl chloride
SMILESCc1ccc(Oc2ccc(S(=O)(=O)Cl)cc2C(=O)N(C)C)cc1Cl
InChIInChI=1S/C16H15Cl2NO4S/c1-10-4-5-11(8-14(10)17)23-15-7-6-12(24(18,21)22)9-13(15)16(20)19(2)3/h4-9H,1-3H3
InChIKeyMOPCROSLBSCWBD-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.07
Rot. Bonds4

About 4-(3-chloro-4-methylphenoxy)-3-(dimethylcarbamoyl)benzenesulfonyl chloride

4-(3-chloro-4-methylphenoxy)-3-(dimethylcarbamoyl)benzenesulfonyl chloride (PubChem CID 89370375) has the molecular formula C16H15Cl2NO4S and a molecular weight of 388.27 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenoxy)-3-(dimethylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenoxy)-3-(dimethylcarbamoyl)benzenesulfonyl chloride
PubChem CID89370375
Molecular FormulaC16H15Cl2NO4S
Molecular Weight388.27 g/mol
Exact Mass387.01
IUPAC Name4-(3-chloro-4-methylphenoxy)-3-(dimethylcarbamoyl)benzenesulfonyl chloride
SMILESCc1ccc(Oc2ccc(S(=O)(=O)Cl)cc2C(=O)N(C)C)cc1Cl
InChIInChI=1S/C16H15Cl2NO4S/c1-10-4-5-11(8-14(10)17)23-15-7-6-12(24(18,21)22)9-13(15)16(20)19(2)3/h4-9H,1-3H3
InChIKeyMOPCROSLBSCWBD-UHFFFAOYSA-N
XLogP4.07
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonyl chloride
CID 61372963
3,4-dichloro-5-(dimethylcarbamoyl)benzenesulfonyl chloride
CID 65371801
3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride
CID 61373146
3-chloro-4-(4-chloro-3-fluorophenoxy)benzenesulfonyl chloride
CID 82717120
5-(azepan-1-ylsulfonyl)-2-methoxy-N,N-dimethylbenzamide
CID 7971089
butyl 5-chlorosulfonyl-2-methylbenzoate
CID 65397685
4-methoxy-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65369997
3-chloro-4-(4-methylsulfanylphenoxy)benzenesulfonyl chloride
CID 63649148
propyl 5-chlorosulfonyl-2-methylbenzoate
CID 65398255
4-chloro-3-[methyl(pentyl)carbamoyl]benzenesulfonyl chloride
CID 65370538
3-acetyl-4-methoxybenzenesulfonyl chloride
CID 15579448
3-[cyclopropylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride
CID 61292517

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenoxy)-3-(dimethylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 4-(3-chloro-4-methylphenoxy)-3-(dimethylcarbamoyl)benzenesulfonyl chloride (CID 89370375) is 4-(3-chloro-4-methylphenoxy)-3-(dimethylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(3-chloro-4-methylphenoxy)-3-(dimethylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(3-chloro-4-methylphenoxy)-3-(dimethylcarbamoyl)benzenesulfonyl chloride is Cc1ccc(Oc2ccc(S(=O)(=O)Cl)cc2C(=O)N(C)C)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methylphenoxy)-3-(dimethylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is MOPCROSLBSCWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S/c1-10-4-5-11(8-14(10)17)23-15-7-6-12(24(18,21)22)9-13(15)16(20)19(2)3/h4-9H,1-3H3.
What are the key properties of 4-(3-chloro-4-methylphenoxy)-3-(dimethylcarbamoyl)benzenesulfonyl chloride?
4-(3-chloro-4-methylphenoxy)-3-(dimethylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 388.27 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenoxy)-3-(dimethylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 89370375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).