N-[3-(methanesulfonamido)-4-(4-methoxyanilino)phenyl]methanesulfonamide

C15H19N3O5S2 — CID 20504403

IUPACN-[3-(methanesulfonamido)-4-(4-methoxyanilino)phenyl]methanesulfonamide
SMILESCOc1ccc(Nc2ccc(NS(C)(=O)=O)cc2NS(C)(=O)=O)cc1
InChIInChI=1S/C15H19N3O5S2/c1-23-13-7-4-11(5-8-13)16-14-9-6-12(17-24(2,19)20)10-15(14)18-25(3,21)22/h4-10,16-18H,1-3H3
InChIKeyFYSKLWJNENJHAR-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.18
Rot. Bonds7

About N-[3-(methanesulfonamido)-4-(4-methoxyanilino)phenyl]methanesulfonamide

N-[3-(methanesulfonamido)-4-(4-methoxyanilino)phenyl]methanesulfonamide (PubChem CID 20504403) has the molecular formula C15H19N3O5S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)-4-(4-methoxyanilino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)-4-(4-methoxyanilino)phenyl]methanesulfonamide
PubChem CID20504403
Molecular FormulaC15H19N3O5S2
Molecular Weight385.47 g/mol
Exact Mass385.08
IUPAC NameN-[3-(methanesulfonamido)-4-(4-methoxyanilino)phenyl]methanesulfonamide
SMILESCOc1ccc(Nc2ccc(NS(C)(=O)=O)cc2NS(C)(=O)=O)cc1
InChIInChI=1S/C15H19N3O5S2/c1-23-13-7-4-11(5-8-13)16-14-9-6-12(17-24(2,19)20)10-15(14)18-25(3,21)22/h4-10,16-18H,1-3H3
InChIKeyFYSKLWJNENJHAR-UHFFFAOYSA-N
XLogP2.18
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
N-[3-(4-methoxyphenoxy)phenyl]methanesulfonamide
CID 22168206
N-[2-[(2,5-dichloropyrimidin-4-yl)amino]-5-methoxyphenyl]methanesulfonamide
CID 58236347
N-(2-formyl-4-methoxyphenyl)methanesulfonamide
CID 131493986
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline
CID 139794718
4-[2-(methanesulfonamido)-4-methoxyanilino]-N-methoxypyridine-3-carboxamide
CID 175915252
N-(4-methoxy-2-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 168515675
N-[2-(4-methoxyphenyl)phenyl]methanesulfonamide
CID 23508536
N-[4-anilino-3-(methanesulfonamido)phenyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 57088176
2,5-bis(4-methoxyanilino)terephthalic acid
CID 3084837
N-(3-amino-4-methoxyphenyl)methanesulfonamide
CID 10560665

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)-4-(4-methoxyanilino)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(methanesulfonamido)-4-(4-methoxyanilino)phenyl]methanesulfonamide (CID 20504403) is N-[3-(methanesulfonamido)-4-(4-methoxyanilino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(methanesulfonamido)-4-(4-methoxyanilino)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(methanesulfonamido)-4-(4-methoxyanilino)phenyl]methanesulfonamide is COc1ccc(Nc2ccc(NS(C)(=O)=O)cc2NS(C)(=O)=O)cc1.
What is the InChIKey of N-[3-(methanesulfonamido)-4-(4-methoxyanilino)phenyl]methanesulfonamide?
The InChIKey is FYSKLWJNENJHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S2/c1-23-13-7-4-11(5-8-13)16-14-9-6-12(17-24(2,19)20)10-15(14)18-25(3,21)22/h4-10,16-18H,1-3H3.
What are the key properties of N-[3-(methanesulfonamido)-4-(4-methoxyanilino)phenyl]methanesulfonamide?
N-[3-(methanesulfonamido)-4-(4-methoxyanilino)phenyl]methanesulfonamide has a molecular weight of 385.47 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)-4-(4-methoxyanilino)phenyl]methanesulfonamide is sourced from PubChem (CID 20504403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).