N-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide

C20H25Cl2N3O4S — CID 46911719

IUPACN-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2OC)cc1NC1CCN(C)CC1
InChIInChI=1S/C20H25Cl2N3O4S/c1-25-8-6-14(7-9-25)23-17-12-15(4-5-19(17)28-2)30(26,27)24-18-11-13(21)10-16(22)20(18)29-3/h4-5,10-12,14,23-24H,6-9H2,1-3H3
InChIKeyDOQWXXFLJCNROA-UHFFFAOYSA-N
MW474.41 g/mol
LogP4.32
Rot. Bonds7

About N-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide

N-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide (PubChem CID 46911719) has the molecular formula C20H25Cl2N3O4S and a molecular weight of 474.41 g/mol. Its IUPAC name is N-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide
PubChem CID46911719
Molecular FormulaC20H25Cl2N3O4S
Molecular Weight474.41 g/mol
Exact Mass473.09
IUPAC NameN-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2OC)cc1NC1CCN(C)CC1
InChIInChI=1S/C20H25Cl2N3O4S/c1-25-8-6-14(7-9-25)23-17-12-15(4-5-19(17)28-2)30(26,27)24-18-11-13(21)10-16(22)20(18)29-3/h4-5,10-12,14,23-24H,6-9H2,1-3H3
InChIKeyDOQWXXFLJCNROA-UHFFFAOYSA-N
XLogP4.32
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.41
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide with MolForge

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Related Compounds

SB-399885
CID 6918649
N-(3,5-dichlorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940212
N-(2-chlorophenyl)-4-methoxy-3-(piperidin-4-ylamino)benzenesulfonamide
CID 49863061
N-(2-chlorophenyl)-4-methoxy-3-[methyl(piperidin-4-yl)amino]benzenesulfonamide
CID 49863101
N-(2-chlorophenyl)-4-methoxy-3-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide
CID 49863126
N-[5-[(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71451887
N-(2,4-dichloro-5-methoxyphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 168298034
4-methoxy-3-piperazin-1-yl-N-(2,3,5-trichlorophenyl)benzenesulfonamide
CID 10433930
N-(2-chloro-3,5-difluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940055
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940113
N-(3-chlorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940155
N-(3,4-dichlorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940228

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide?
The IUPAC name of N-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide (CID 46911719) is N-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide?
The canonical SMILES for N-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2OC)cc1NC1CCN(C)CC1.
What is the InChIKey of N-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide?
The InChIKey is DOQWXXFLJCNROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N3O4S/c1-25-8-6-14(7-9-25)23-17-12-15(4-5-19(17)28-2)30(26,27)24-18-11-13(21)10-16(22)20(18)29-3/h4-5,10-12,14,23-24H,6-9H2,1-3H3.
What are the key properties of N-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide?
N-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide has a molecular weight of 474.41 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-methoxyphenyl)-4-methoxy-3-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 46911719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).