N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(ethylamino)benzenesulfonamide

C14H17N3O2S2 — CID 62157211

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2nc(C3CC3)cs2)cc1
InChIInChI=1S/C14H17N3O2S2/c1-2-15-11-5-7-12(8-6-11)21(18,19)17-14-16-13(9-20-14)10-3-4-10/h5-10,15H,2-4H2,1H3,(H,16,17)
InChIKeyMWCZFQOWBKECOW-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.25
Rot. Bonds6

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(ethylamino)benzenesulfonamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(ethylamino)benzenesulfonamide (PubChem CID 62157211) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(ethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(ethylamino)benzenesulfonamide
PubChem CID62157211
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2nc(C3CC3)cs2)cc1
InChIInChI=1S/C14H17N3O2S2/c1-2-15-11-5-7-12(8-6-11)21(18,19)17-14-16-13(9-20-14)10-3-4-10/h5-10,15H,2-4H2,1H3,(H,16,17)
InChIKeyMWCZFQOWBKECOW-UHFFFAOYSA-N
XLogP3.25
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(ethylamino)benzenesulfonamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(ethylamino)benzenesulfonamide (CID 62157211) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(ethylamino)benzenesulfonamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(ethylamino)benzenesulfonamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(ethylamino)benzenesulfonamide is CCNc1ccc(S(=O)(=O)Nc2nc(C3CC3)cs2)cc1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(ethylamino)benzenesulfonamide?
The InChIKey is MWCZFQOWBKECOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-2-15-11-5-7-12(8-6-11)21(18,19)17-14-16-13(9-20-14)10-3-4-10/h5-10,15H,2-4H2,1H3,(H,16,17).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(ethylamino)benzenesulfonamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(ethylamino)benzenesulfonamide has a molecular weight of 323.44 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(ethylamino)benzenesulfonamide is sourced from PubChem (CID 62157211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).