N-(3-chloro-4-methoxyphenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide

C17H21ClN2O5S2 — CID 55879659

IUPACN-(3-chloro-4-methoxyphenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)cc1Cl
InChIInChI=1S/C17H21ClN2O5S2/c1-10-8-11(2)17(12(3)16(10)20-26(5,21)22)27(23,24)19-13-6-7-15(25-4)14(18)9-13/h6-9,19-20H,1-5H3
InChIKeyHBOSYYSWGZZPOQ-UHFFFAOYSA-N
MW432.95 g/mol
LogP3.45
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide

N-(3-chloro-4-methoxyphenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 55879659) has the molecular formula C17H21ClN2O5S2 and a molecular weight of 432.95 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide
PubChem CID55879659
Molecular FormulaC17H21ClN2O5S2
Molecular Weight432.95 g/mol
Exact Mass432.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)cc1Cl
InChIInChI=1S/C17H21ClN2O5S2/c1-10-8-11(2)17(12(3)16(10)20-26(5,21)22)27(23,24)19-13-6-7-15(25-4)14(18)9-13/h6-9,19-20H,1-5H3
InChIKeyHBOSYYSWGZZPOQ-UHFFFAOYSA-N
XLogP3.45
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide
CID 55879000
N-(6-chloro-3-pyridinyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide
CID 56532181
3-(methanesulfonamido)-2,4,6-trimethyl-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 60532632
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
3-(methanesulfonamido)-2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 60532916
N-[4-(cyanomethyl)phenyl]-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide
CID 55895192
N-(3-chloro-4-methoxyphenyl)-4-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 50842686
N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146076584
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 22205973
N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 55676131
3-(methanesulfonamido)-2,4,6-trimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 55896668

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide (CID 55879659) is N-(3-chloro-4-methoxyphenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is HBOSYYSWGZZPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O5S2/c1-10-8-11(2)17(12(3)16(10)20-26(5,21)22)27(23,24)19-13-6-7-15(25-4)14(18)9-13/h6-9,19-20H,1-5H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide?
N-(3-chloro-4-methoxyphenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 432.95 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-(methanesulfonamido)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 55879659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).