2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide

C13H18Cl2N2O3S — CID 129467888

IUPAC2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
SMILESCOc1cc(Cl)c(S(=O)(=O)N[C@H]2CCNC[C@H]2C)cc1Cl
InChIInChI=1S/C13H18Cl2N2O3S/c1-8-7-16-4-3-11(8)17-21(18,19)13-6-9(14)12(20-2)5-10(13)15/h5-6,8,11,16-17H,3-4,7H2,1-2H3/t8-,11+/m1/s1
InChIKeyPFSBYBHRCPNCKY-KCJUWKMLSA-N
MW353.27 g/mol
LogP2.28
Rot. Bonds4

About 2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide

2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide (PubChem CID 129467888) has the molecular formula C13H18Cl2N2O3S and a molecular weight of 353.27 g/mol. Its IUPAC name is 2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
PubChem CID129467888
Molecular FormulaC13H18Cl2N2O3S
Molecular Weight353.27 g/mol
Exact Mass352.04
IUPAC Name2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
SMILESCOc1cc(Cl)c(S(=O)(=O)N[C@H]2CCNC[C@H]2C)cc1Cl
InChIInChI=1S/C13H18Cl2N2O3S/c1-8-7-16-4-3-11(8)17-21(18,19)13-6-9(14)12(20-2)5-10(13)15/h5-6,8,11,16-17H,3-4,7H2,1-2H3/t8-,11+/m1/s1
InChIKeyPFSBYBHRCPNCKY-KCJUWKMLSA-N
XLogP2.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724939
2,5-dichloro-4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964367
2,4,6-trimethoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120876553
4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide
CID 120725200
2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725133
5-chloro-4-methoxy-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707594
5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725193
4-bromo-3-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724741
4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725010
4-(ethylsulfonylamino)-2-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724693
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dichloro-4-methoxybenzenesulfonamide
CID 91948739
3-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 120725164

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide (CID 129467888) is 2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide is COc1cc(Cl)c(S(=O)(=O)N[C@H]2CCNC[C@H]2C)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide?
The InChIKey is PFSBYBHRCPNCKY-KCJUWKMLSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3S/c1-8-7-16-4-3-11(8)17-21(18,19)13-6-9(14)12(20-2)5-10(13)15/h5-6,8,11,16-17H,3-4,7H2,1-2H3/t8-,11+/m1/s1.
What are the key properties of 2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide?
2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide has a molecular weight of 353.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 129467888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).