N-cyclopropyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenesulfonamide

C14H18N4O2S — CID 82873492

IUPACN-cyclopropyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenesulfonamide
SMILESCn1ccc(CNc2ccc(S(=O)(=O)NC3CC3)cc2)n1
InChIInChI=1S/C14H18N4O2S/c1-18-9-8-13(16-18)10-15-11-4-6-14(7-5-11)21(19,20)17-12-2-3-12/h4-9,12,15,17H,2-3,10H2,1H3
InChIKeyJAMHTSKMYNMEJW-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.47
Rot. Bonds6

About N-cyclopropyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenesulfonamide

N-cyclopropyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenesulfonamide (PubChem CID 82873492) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-cyclopropyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenesulfonamide
PubChem CID82873492
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-cyclopropyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenesulfonamide
SMILESCn1ccc(CNc2ccc(S(=O)(=O)NC3CC3)cc2)n1
InChIInChI=1S/C14H18N4O2S/c1-18-9-8-13(16-18)10-15-11-4-6-14(7-5-11)21(19,20)17-12-2-3-12/h4-9,12,15,17H,2-3,10H2,1H3
InChIKeyJAMHTSKMYNMEJW-UHFFFAOYSA-N
XLogP1.47
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 61283817
N-cyclopropyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 60919052
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
N-cyclopropyl-4-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62664839
4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882484
4-[(5-bromothiophen-2-yl)methylamino]-N-cyclopropylbenzenesulfonamide
CID 61012175
N-cyclopropyl-4-(3-hydroxybutylamino)benzenesulfonamide
CID 64910863
N-cyclopropyl-4-(pent-3-ynylamino)benzenesulfonamide
CID 116644409
4-cyano-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82873625
5-[(cyclopropylamino)methyl]-N-[(1-methylpyrazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106076432
N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide
CID 119044383
N-cyclopropyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 106382169

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenesulfonamide (CID 82873492) is N-cyclopropyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenesulfonamide is Cn1ccc(CNc2ccc(S(=O)(=O)NC3CC3)cc2)n1.
What is the InChIKey of N-cyclopropyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenesulfonamide?
The InChIKey is JAMHTSKMYNMEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-18-9-8-13(16-18)10-15-11-4-6-14(7-5-11)21(19,20)17-12-2-3-12/h4-9,12,15,17H,2-3,10H2,1H3.
What are the key properties of N-cyclopropyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenesulfonamide?
N-cyclopropyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(1-methylpyrazol-3-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 82873492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).