2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide

C15H14ClNO3S — CID 94064806

IUPAC2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1COc2ccccc2C1)c1ccccc1Cl
InChIInChI=1S/C15H14ClNO3S/c16-13-6-2-4-8-15(13)21(18,19)17-12-9-11-5-1-3-7-14(11)20-10-12/h1-8,12,17H,9-10H2/t12-/m0/s1
InChIKeyCUZVCOYOEYAADM-LBPRGKRZSA-N
MW323.80 g/mol
LogP2.62
Rot. Bonds3

About 2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide

2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide (PubChem CID 94064806) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
PubChem CID94064806
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1COc2ccccc2C1)c1ccccc1Cl
InChIInChI=1S/C15H14ClNO3S/c16-13-6-2-4-8-15(13)21(18,19)17-12-9-11-5-1-3-7-14(11)20-10-12/h1-8,12,17H,9-10H2/t12-/m0/s1
InChIKeyCUZVCOYOEYAADM-LBPRGKRZSA-N
XLogP2.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)methanesulfonamide
CID 110751563
2-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzenesulfonamide
CID 110751703
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 94064797
N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide
CID 53006074
5-bromo-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]thiophene-2-sulfonamide
CID 94064800
N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110751552
5-bromo-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methyltriazole-4-sulfonamide
CID 99796874
N-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide
CID 94064827
2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 28811083
2-chloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726925
2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960748
3-bromo-N-(3,4-dihydro-2H-chromen-3-yl)-5-nitrobenzenesulfonamide
CID 86902082

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide (CID 94064806) is 2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide is O=S(=O)(N[C@@H]1COc2ccccc2C1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide?
The InChIKey is CUZVCOYOEYAADM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c16-13-6-2-4-8-15(13)21(18,19)17-12-9-11-5-1-3-7-14(11)20-10-12/h1-8,12,17H,9-10H2/t12-/m0/s1.
What are the key properties of 2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide?
2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide has a molecular weight of 323.80 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide is sourced from PubChem (CID 94064806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).