4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide

C13H18N4O2S — CID 62957865

IUPAC4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide
SMILESCCCn1ccnc1CNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H18N4O2S/c1-2-8-17-9-7-15-13(17)10-16-11-3-5-12(6-4-11)20(14,18)19/h3-7,9,16H,2,8,10H2,1H3,(H2,14,18,19)
InChIKeyIYBCBPLUWQSDPD-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.55
Rot. Bonds6

About 4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide

4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide (PubChem CID 62957865) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide
PubChem CID62957865
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide
SMILESCCCn1ccnc1CNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H18N4O2S/c1-2-8-17-9-7-15-13(17)10-16-11-3-5-12(6-4-11)20(14,18)19/h3-7,9,16H,2,8,10H2,1H3,(H2,14,18,19)
InChIKeyIYBCBPLUWQSDPD-UHFFFAOYSA-N
XLogP1.55
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
CID 62956453
N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfonylaniline
CID 62356891
methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate
CID 62956308
N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 62957014
N-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62349942
2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile
CID 62955778
2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957712
3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957177
2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 107597049
4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile
CID 107788244
4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
CID 63295569
6-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]pyridin-3-amine
CID 62957017

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide?
The IUPAC name of 4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide (CID 62957865) is 4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide is CCCn1ccnc1CNc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide?
The InChIKey is IYBCBPLUWQSDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-2-8-17-9-7-15-13(17)10-16-11-3-5-12(6-4-11)20(14,18)19/h3-7,9,16H,2,8,10H2,1H3,(H2,14,18,19).
What are the key properties of 4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide?
4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 62957865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).