4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide

C16H16ClNO3S — CID 51238108

IUPAC4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1COc2ccccc2C1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO3S/c17-14-5-7-15(8-6-14)22(19,20)18-10-12-9-13-3-1-2-4-16(13)21-11-12/h1-8,12,18H,9-11H2
InChIKeyRCJVHAVBINRXFR-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.87
Rot. Bonds4

About 4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide

4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide (PubChem CID 51238108) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is 4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
PubChem CID51238108
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1COc2ccccc2C1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO3S/c17-14-5-7-15(8-6-14)22(19,20)18-10-12-9-13-3-1-2-4-16(13)21-11-12/h1-8,12,18H,9-11H2
InChIKeyRCJVHAVBINRXFR-UHFFFAOYSA-N
XLogP2.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,4-dimethylbenzenesulfonamide
CID 51238126
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3,5-difluorobenzenesulfonamide
CID 51238121
3-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzene-1,3-disulfonamide
CID 55512090
3-cyano-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
CID 51238144
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 97126102
3-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide
CID 97146768
3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylbenzamide
CID 97146767
(3S)-3-[(diethylsulfamoylamino)methyl]-3,4-dihydro-2H-chromene
CID 94201312
4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylsulfamoyl]-N-methylthiophene-2-carboxamide
CID 97117712
4-chloro-N-[3-(2,3-dihydro-1H-inden-2-yl)propyl]benzenesulfonamide
CID 18921501
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-propylpyrazole-3-sulfonamide
CID 72914852
2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde
CID 142734505

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide (CID 51238108) is 4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1COc2ccccc2C1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide?
The InChIKey is RCJVHAVBINRXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c17-14-5-7-15(8-6-14)22(19,20)18-10-12-9-13-3-1-2-4-16(13)21-11-12/h1-8,12,18H,9-11H2.
What are the key properties of 4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide?
4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide has a molecular weight of 337.83 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 51238108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).