3-(tert-butylsulfamoylamino)-4-methoxybenzenesulfonamide

C11H19N3O5S2 — CID 114812448

IUPAC3-(tert-butylsulfamoylamino)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H19N3O5S2/c1-11(2,3)14-21(17,18)13-9-7-8(20(12,15)16)5-6-10(9)19-4/h5-7,13-14H,1-4H3,(H2,12,15,16)
InChIKeyAYYRFQYSECTGOK-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.39
Rot. Bonds5

About 3-(tert-butylsulfamoylamino)-4-methoxybenzenesulfonamide

3-(tert-butylsulfamoylamino)-4-methoxybenzenesulfonamide (PubChem CID 114812448) has the molecular formula C11H19N3O5S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-(tert-butylsulfamoylamino)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoylamino)-4-methoxybenzenesulfonamide
PubChem CID114812448
Molecular FormulaC11H19N3O5S2
Molecular Weight337.42 g/mol
Exact Mass337.08
IUPAC Name3-(tert-butylsulfamoylamino)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H19N3O5S2/c1-11(2,3)14-21(17,18)13-9-7-8(20(12,15)16)5-6-10(9)19-4/h5-7,13-14H,1-4H3,(H2,12,15,16)
InChIKeyAYYRFQYSECTGOK-UHFFFAOYSA-N
XLogP0.39
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-(2-methoxyethylsulfamoylamino)benzenesulfonamide
CID 114816629
4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline
CID 114804141
3-(cyclopropylamino)-4-methoxybenzenesulfonamide
CID 103439129
4-chloro-3-[(2-methoxy-5-sulfamoylphenyl)sulfamoyl]benzoic acid
CID 100820520
CID 118692692
CID 118692692
3-[(5-bromofuran-2-yl)methylamino]-4-methoxybenzenesulfonamide
CID 43743930
3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-methoxybenzenesulfonamide
CID 107441785
N-tert-butyl-3,4-dimethoxybenzenesulfonamide
CID 795187
N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 2985802
3-[(4,5-dibromothiophen-2-yl)methylamino]-4-methoxybenzenesulfonamide
CID 102833850
3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzenesulfonamide
CID 43743918
N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide
CID 47154229

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoylamino)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-(tert-butylsulfamoylamino)-4-methoxybenzenesulfonamide (CID 114812448) is 3-(tert-butylsulfamoylamino)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-(tert-butylsulfamoylamino)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-(tert-butylsulfamoylamino)-4-methoxybenzenesulfonamide is COc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylsulfamoylamino)-4-methoxybenzenesulfonamide?
The InChIKey is AYYRFQYSECTGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5S2/c1-11(2,3)14-21(17,18)13-9-7-8(20(12,15)16)5-6-10(9)19-4/h5-7,13-14H,1-4H3,(H2,12,15,16).
What are the key properties of 3-(tert-butylsulfamoylamino)-4-methoxybenzenesulfonamide?
3-(tert-butylsulfamoylamino)-4-methoxybenzenesulfonamide has a molecular weight of 337.42 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoylamino)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 114812448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).