N-(3,4-dihydro-2H-chromen-6-yl)-4-propan-2-yloxybenzenesulfonamide

C18H21NO4S — CID 110726232

IUPACN-(3,4-dihydro-2H-chromen-6-yl)-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C18H21NO4S/c1-13(2)23-16-6-8-17(9-7-16)24(20,21)19-15-5-10-18-14(12-15)4-3-11-22-18/h5-10,12-13,19H,3-4,11H2,1-2H3
InChIKeyFTMJKJLBVZXYJS-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.60
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-6-yl)-4-propan-2-yloxybenzenesulfonamide

N-(3,4-dihydro-2H-chromen-6-yl)-4-propan-2-yloxybenzenesulfonamide (PubChem CID 110726232) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-yl)-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-yl)-4-propan-2-yloxybenzenesulfonamide
PubChem CID110726232
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN-(3,4-dihydro-2H-chromen-6-yl)-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C18H21NO4S/c1-13(2)23-16-6-8-17(9-7-16)24(20,21)19-15-5-10-18-14(12-15)4-3-11-22-18/h5-10,12-13,19H,3-4,11H2,1-2H3
InChIKeyFTMJKJLBVZXYJS-UHFFFAOYSA-N
XLogP3.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705679
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705643
4-acetyl-N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 110650367
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 44623892
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)-4-propan-2-yloxybenzenesulfonamide
CID 84563760
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide
CID 113091355
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide
CID 154934520
N-[4-(diethylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112984727
(2S)-2-[4-(1,3-benzodioxol-5-ylsulfamoyl)phenoxy]-N-propan-2-ylpropanamide
CID 7413187
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112990448
N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide
CID 110726170

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)-4-propan-2-yloxybenzenesulfonamide (CID 110726232) is N-(3,4-dihydro-2H-chromen-6-yl)-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-yl)-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-yl)-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCO3)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-yl)-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is FTMJKJLBVZXYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-13(2)23-16-6-8-17(9-7-16)24(20,21)19-15-5-10-18-14(12-15)4-3-11-22-18/h5-10,12-13,19H,3-4,11H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-6-yl)-4-propan-2-yloxybenzenesulfonamide?
N-(3,4-dihydro-2H-chromen-6-yl)-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-6-yl)-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 110726232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).