4-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride

C13H18ClNO3S — CID 43269658

IUPAC4-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
SMILESCCCN(C(=O)c1ccc(S(=O)(=O)Cl)cc1)C(C)C
InChIInChI=1S/C13H18ClNO3S/c1-4-9-15(10(2)3)13(16)11-5-7-12(8-6-11)19(14,17)18/h5-8,10H,4,9H2,1-3H3
InChIKeyADUVLELGRUIJEW-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.87
Rot. Bonds5

About 4-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride

4-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 43269658) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 4-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
PubChem CID43269658
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name4-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
SMILESCCCN(C(=O)c1ccc(S(=O)(=O)Cl)cc1)C(C)C
InChIInChI=1S/C13H18ClNO3S/c1-4-9-15(10(2)3)13(16)11-5-7-12(8-6-11)19(14,17)18/h5-8,10H,4,9H2,1-3H3
InChIKeyADUVLELGRUIJEW-UHFFFAOYSA-N
XLogP2.87
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-N-propan-2-yl-N-propylbenzamide
CID 43269463
4-(dibutylcarbamoyl)benzenesulfonyl chloride
CID 43125989
4-carbamothioyl-N-propan-2-yl-N-propylbenzamide
CID 43269726
4-[butyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 18071644
6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 10421027
N-(2-aminoethyl)-4-methylsulfonyl-N-propan-2-ylbenzamide
CID 61349904
2-amino-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 62156310
3-fluoro-2-methyl-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65372237
N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
CID 43269913
N-(2-chloroethyl)-4-ethyl-N-propan-2-ylbenzamide
CID 63393513
4-amino-N-pentyl-N-propan-2-ylbenzamide
CID 54905871
N-propan-2-yl-N-propyl-6-(propylamino)pyridine-3-carboxamide
CID 62168280

Frequently Asked Questions

What is the IUPAC name of 4-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 4-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride (CID 43269658) is 4-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride is CCCN(C(=O)c1ccc(S(=O)(=O)Cl)cc1)C(C)C.
What is the InChIKey of 4-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is ADUVLELGRUIJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-4-9-15(10(2)3)13(16)11-5-7-12(8-6-11)19(14,17)18/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 4-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride?
4-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 303.81 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 43269658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).