4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzenesulfonyl chloride

C14H18ClNO3S — CID 79363220

IUPAC4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzenesulfonyl chloride
SMILESCC1(C)C(NC(=O)c2ccc(S(=O)(=O)Cl)cc2)C1(C)C
InChIInChI=1S/C14H18ClNO3S/c1-13(2)12(14(13,3)4)16-11(17)9-5-7-10(8-6-9)20(15,18)19/h5-8,12H,1-4H3,(H,16,17)
InChIKeyMLMITZXCEMQYSR-UHFFFAOYSA-N
MW315.82 g/mol
LogP2.78
Rot. Bonds3

About 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzenesulfonyl chloride

4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 79363220) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzenesulfonyl chloride
PubChem CID79363220
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzenesulfonyl chloride
SMILESCC1(C)C(NC(=O)c2ccc(S(=O)(=O)Cl)cc2)C1(C)C
InChIInChI=1S/C14H18ClNO3S/c1-13(2)12(14(13,3)4)16-11(17)9-5-7-10(8-6-9)20(15,18)19/h5-8,12H,1-4H3,(H,16,17)
InChIKeyMLMITZXCEMQYSR-UHFFFAOYSA-N
XLogP2.78
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid
CID 79356507
4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzenesulfonyl chloride
CID 79360136
4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79350622
4-(chloromethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79358822
4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 79357188
4-(ethylamino)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79356898
4-chloro-3-sulfamoyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79360203
N-(2,2,3,3-tetramethylcyclopropyl)-1H-indole-6-carboxamide
CID 79357254
3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79353186
4-(2-methylprop-2-enylcarbamoyl)benzenesulfonyl chloride
CID 114617254
4-(4-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 43372353
4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid
CID 164925854

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzenesulfonyl chloride (CID 79363220) is 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzenesulfonyl chloride is CC1(C)C(NC(=O)c2ccc(S(=O)(=O)Cl)cc2)C1(C)C.
What is the InChIKey of 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is MLMITZXCEMQYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-13(2)12(14(13,3)4)16-11(17)9-5-7-10(8-6-9)20(15,18)19/h5-8,12H,1-4H3,(H,16,17).
What are the key properties of 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzenesulfonyl chloride?
4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 315.82 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 79363220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).