(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-5-ethyl-3,4-dihydro-2H-chromene-8-sulfonamide

C19H22ClFN2O3S — CID 11999011

IUPAC(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-5-ethyl-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c2c1C[C@@H](N(C)C)CO2
InChIInChI=1S/C19H22ClFN2O3S/c1-4-12-5-8-18(19-15(12)10-14(11-26-19)23(2)3)27(24,25)22-13-6-7-17(21)16(20)9-13/h5-9,14,22H,4,10-11H2,1-3H3/t14-/m1/s1
InChIKeyBLRWSOWBLVJIPK-CQSZACIVSA-N
MW412.91 g/mol
LogP3.71
Rot. Bonds5

About (3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-5-ethyl-3,4-dihydro-2H-chromene-8-sulfonamide

(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-5-ethyl-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 11999011) has the molecular formula C19H22ClFN2O3S and a molecular weight of 412.91 g/mol. Its IUPAC name is (3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-5-ethyl-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-5-ethyl-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID11999011
Molecular FormulaC19H22ClFN2O3S
Molecular Weight412.91 g/mol
Exact Mass412.10
IUPAC Name(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-5-ethyl-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c2c1C[C@@H](N(C)C)CO2
InChIInChI=1S/C19H22ClFN2O3S/c1-4-12-5-8-18(19-15(12)10-14(11-26-19)23(2)3)27(24,25)22-13-6-7-17(21)16(20)9-13/h5-9,14,22H,4,10-11H2,1-3H3/t14-/m1/s1
InChIKeyBLRWSOWBLVJIPK-CQSZACIVSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.91
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(3-chloro-4-fluorophenyl)-5-methoxy-3-[methyl(propan-2-yl)amino]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 11998900
4-chloro-N-(3-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 4849983
2,5-dichloro-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide
CID 68953815
2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide
CID 28938069
N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62144758
N-(3-chloro-4-fluorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191076
N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 793232
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide
CID 3716276
N-(3-chloro-4-fluorophenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 3407312
3-amino-N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885675
5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629247

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-5-ethyl-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of (3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-5-ethyl-3,4-dihydro-2H-chromene-8-sulfonamide (CID 11999011) is (3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-5-ethyl-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for (3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-5-ethyl-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for (3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-5-ethyl-3,4-dihydro-2H-chromene-8-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c2c1C[C@@H](N(C)C)CO2.
What is the InChIKey of (3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-5-ethyl-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is BLRWSOWBLVJIPK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22ClFN2O3S/c1-4-12-5-8-18(19-15(12)10-14(11-26-19)23(2)3)27(24,25)22-13-6-7-17(21)16(20)9-13/h5-9,14,22H,4,10-11H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-5-ethyl-3,4-dihydro-2H-chromene-8-sulfonamide?
(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-5-ethyl-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 412.91 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-5-ethyl-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 11999011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).