N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-methylpyrrolidine-1-sulfonamide

C14H20FN3O4S2 — CID 167990213

IUPACN-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-methylpyrrolidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)C1
InChIInChI=1S/C14H20FN3O4S2/c1-10-6-7-18(9-10)24(21,22)17-12-4-5-13(15)14(8-12)23(19,20)16-11-2-3-11/h4-5,8,10-11,16-17H,2-3,6-7,9H2,1H3
InChIKeyGKTFTTRBGKANEX-UHFFFAOYSA-N
MW377.46 g/mol
LogP1.26
Rot. Bonds6

About N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-methylpyrrolidine-1-sulfonamide

N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-methylpyrrolidine-1-sulfonamide (PubChem CID 167990213) has the molecular formula C14H20FN3O4S2 and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-methylpyrrolidine-1-sulfonamide
PubChem CID167990213
Molecular FormulaC14H20FN3O4S2
Molecular Weight377.46 g/mol
Exact Mass377.09
IUPAC NameN-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-methylpyrrolidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)C1
InChIInChI=1S/C14H20FN3O4S2/c1-10-6-7-18(9-10)24(21,22)17-12-4-5-13(15)14(8-12)23(19,20)16-11-2-3-11/h4-5,8,10-11,16-17H,2-3,6-7,9H2,1H3
InChIKeyGKTFTTRBGKANEX-UHFFFAOYSA-N
XLogP1.26
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide
CID 62316606
2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-methylpropanamide;hydrochloride
CID 119331434
N-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide
CID 82861668
3-anilino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]pyrrolidine-1-carboxamide
CID 75400069
3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide
CID 31966533
N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-methyloxolane-2-carboxamide
CID 119042556
2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 29297612
N-(3-amino-4-bromophenyl)-3-methylpiperidine-1-sulfonamide
CID 79768125
N-(6-fluoro-3-pyridinyl)-3-methylpiperidine-1-sulfonamide
CID 103777926
3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride
CID 65036561
3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 79180239
2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide
CID 107585302

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-methylpyrrolidine-1-sulfonamide?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-methylpyrrolidine-1-sulfonamide (CID 167990213) is N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-methylpyrrolidine-1-sulfonamide is CC1CCN(S(=O)(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)C1.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-methylpyrrolidine-1-sulfonamide?
The InChIKey is GKTFTTRBGKANEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O4S2/c1-10-6-7-18(9-10)24(21,22)17-12-4-5-13(15)14(8-12)23(19,20)16-11-2-3-11/h4-5,8,10-11,16-17H,2-3,6-7,9H2,1H3.
What are the key properties of N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-methylpyrrolidine-1-sulfonamide?
N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-methylpyrrolidine-1-sulfonamide has a molecular weight of 377.46 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 167990213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).