N-[4-(dimethylsulfamoylamino)-2-methoxyphenyl]benzenesulfonamide

C15H19N3O5S2 — CID 21239388

IUPACN-[4-(dimethylsulfamoylamino)-2-methoxyphenyl]benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)N(C)C)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H19N3O5S2/c1-18(2)25(21,22)16-12-9-10-14(15(11-12)23-3)17-24(19,20)13-7-5-4-6-8-13/h4-11,16-17H,1-3H3
InChIKeyQFBWHIGYQGBCFA-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.71
Rot. Bonds7

About N-[4-(dimethylsulfamoylamino)-2-methoxyphenyl]benzenesulfonamide

N-[4-(dimethylsulfamoylamino)-2-methoxyphenyl]benzenesulfonamide (PubChem CID 21239388) has the molecular formula C15H19N3O5S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoylamino)-2-methoxyphenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoylamino)-2-methoxyphenyl]benzenesulfonamide
PubChem CID21239388
Molecular FormulaC15H19N3O5S2
Molecular Weight385.47 g/mol
Exact Mass385.08
IUPAC NameN-[4-(dimethylsulfamoylamino)-2-methoxyphenyl]benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)N(C)C)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H19N3O5S2/c1-18(2)25(21,22)16-12-9-10-14(15(11-12)23-3)17-24(19,20)13-7-5-4-6-8-13/h4-11,16-17H,1-3H3
InChIKeyQFBWHIGYQGBCFA-UHFFFAOYSA-N
XLogP1.71
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide
CID 71390494
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide
CID 43550840
N-(2,4-dimethoxyphenyl)-4-phenoxybenzenesulfonamide
CID 46764272
[4-(benzenesulfonamido)-3-methoxyphenyl] thiocyanate
CID 17324398
3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide
CID 26982440
4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415575
4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 121043668
N-[4-(diethylsulfamoylamino)-2-methoxyphenyl]benzamide
CID 70581143
N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 68955632
N-[4-(dimethylamino)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169371060
4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43885917

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoylamino)-2-methoxyphenyl]benzenesulfonamide?
The IUPAC name of N-[4-(dimethylsulfamoylamino)-2-methoxyphenyl]benzenesulfonamide (CID 21239388) is N-[4-(dimethylsulfamoylamino)-2-methoxyphenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(dimethylsulfamoylamino)-2-methoxyphenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(dimethylsulfamoylamino)-2-methoxyphenyl]benzenesulfonamide is COc1cc(NS(=O)(=O)N(C)C)ccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-(dimethylsulfamoylamino)-2-methoxyphenyl]benzenesulfonamide?
The InChIKey is QFBWHIGYQGBCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S2/c1-18(2)25(21,22)16-12-9-10-14(15(11-12)23-3)17-24(19,20)13-7-5-4-6-8-13/h4-11,16-17H,1-3H3.
What are the key properties of N-[4-(dimethylsulfamoylamino)-2-methoxyphenyl]benzenesulfonamide?
N-[4-(dimethylsulfamoylamino)-2-methoxyphenyl]benzenesulfonamide has a molecular weight of 385.47 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoylamino)-2-methoxyphenyl]benzenesulfonamide is sourced from PubChem (CID 21239388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).