3,4-dichloro-N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide

C19H22Cl2N2O3S — CID 15950213

IUPAC3,4-dichloro-N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c2c1C[C@@H](N(C)C)CC2
InChIInChI=1S/C19H22Cl2N2O3S/c1-23(2)12-4-6-14-15(10-12)19(26-3)9-8-18(14)22-27(24,25)13-5-7-16(20)17(21)11-13/h5,7-9,11-12,22H,4,6,10H2,1-3H3/t12-/m0/s1
InChIKeyUFMOSJRPNQVJCG-LBPRGKRZSA-N
MW429.37 g/mol
LogP4.22
Rot. Bonds5

About 3,4-dichloro-N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide

3,4-dichloro-N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide (PubChem CID 15950213) has the molecular formula C19H22Cl2N2O3S and a molecular weight of 429.37 g/mol. Its IUPAC name is 3,4-dichloro-N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide
PubChem CID15950213
Molecular FormulaC19H22Cl2N2O3S
Molecular Weight429.37 g/mol
Exact Mass428.07
IUPAC Name3,4-dichloro-N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c2c1C[C@@H](N(C)C)CC2
InChIInChI=1S/C19H22Cl2N2O3S/c1-23(2)12-4-6-14-15(10-12)19(26-3)9-8-18(14)22-27(24,25)13-5-7-16(20)17(21)11-13/h5,7-9,11-12,22H,4,6,10H2,1-3H3/t12-/m0/s1
InChIKeyUFMOSJRPNQVJCG-LBPRGKRZSA-N
XLogP4.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dichloro-N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-fluoro-4-methoxybenzenesulfonamide
CID 68956567
N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 68955632
N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-6-phenoxypyridine-3-sulfonamide
CID 73204198
N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,5-difluorobenzenesulfonamide
CID 73204327
N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,3,4-trifluorobenzenesulfonamide
CID 73204197
N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide
CID 63530508
3,5-dichloro-N-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 143337884
2,5-dichloro-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide
CID 68953815
N-[4-[(3,4-dichlorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 55902732
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
4-tert-butyl-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide
CID 15949035
(2R)-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]oxolane-2-carboxamide
CID 26853359

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide (CID 15950213) is 3,4-dichloro-N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c2c1C[C@@H](N(C)C)CC2.
What is the InChIKey of 3,4-dichloro-N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The InChIKey is UFMOSJRPNQVJCG-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3S/c1-23(2)12-4-6-14-15(10-12)19(26-3)9-8-18(14)22-27(24,25)13-5-7-16(20)17(21)11-13/h5,7-9,11-12,22H,4,6,10H2,1-3H3/t12-/m0/s1.
What are the key properties of 3,4-dichloro-N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide?
3,4-dichloro-N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide has a molecular weight of 429.37 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 15950213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).