N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide

C12H21N3O4S2 — CID 154755711

IUPACN-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)NC)cc1
InChIInChI=1S/C12H21N3O4S2/c1-3-4-5-10-20(16,17)14-11-6-8-12(9-7-11)15-21(18,19)13-2/h6-9,13-15H,3-5,10H2,1-2H3
InChIKeyTUZFZEYYVBXHSL-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.49
Rot. Bonds9

About N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide

N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide (PubChem CID 154755711) has the molecular formula C12H21N3O4S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide
PubChem CID154755711
Molecular FormulaC12H21N3O4S2
Molecular Weight335.45 g/mol
Exact Mass335.10
IUPAC NameN-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)NC)cc1
InChIInChI=1S/C12H21N3O4S2/c1-3-4-5-10-20(16,17)14-11-6-8-12(9-7-11)15-21(18,19)13-2/h6-9,13-15H,3-5,10H2,1-2H3
InChIKeyTUZFZEYYVBXHSL-UHFFFAOYSA-N
XLogP1.49
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide?
The IUPAC name of N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide (CID 154755711) is N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide.
What is the SMILES notation for N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide?
The canonical SMILES for N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide is CCCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)NC)cc1.
What is the InChIKey of N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide?
The InChIKey is TUZFZEYYVBXHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S2/c1-3-4-5-10-20(16,17)14-11-6-8-12(9-7-11)15-21(18,19)13-2/h6-9,13-15H,3-5,10H2,1-2H3.
What are the key properties of N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide?
N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide has a molecular weight of 335.45 g/mol, XLogP of 1.49, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide is sourced from PubChem (CID 154755711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).