1-[1-[(sulfamoylamino)methyl]cyclopropyl]-3-(trifluoromethyl)benzene

C11H13F3N2O2S — CID 154834670

IUPAC1-[1-[(sulfamoylamino)methyl]cyclopropyl]-3-(trifluoromethyl)benzene
SMILESNS(=O)(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)9-3-1-2-8(6-9)10(4-5-10)7-16-19(15,17)18/h1-3,6,16H,4-5,7H2,(H2,15,17,18)
InChIKeyQHDMIYOOXUKRLT-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.53
Rot. Bonds4

About 1-[1-[(sulfamoylamino)methyl]cyclopropyl]-3-(trifluoromethyl)benzene

1-[1-[(sulfamoylamino)methyl]cyclopropyl]-3-(trifluoromethyl)benzene (PubChem CID 154834670) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-[1-[(sulfamoylamino)methyl]cyclopropyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[1-[(sulfamoylamino)methyl]cyclopropyl]-3-(trifluoromethyl)benzene
PubChem CID154834670
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name1-[1-[(sulfamoylamino)methyl]cyclopropyl]-3-(trifluoromethyl)benzene
SMILESNS(=O)(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)9-3-1-2-8(6-9)10(4-5-10)7-16-19(15,17)18/h1-3,6,16H,4-5,7H2,(H2,15,17,18)
InChIKeyQHDMIYOOXUKRLT-UHFFFAOYSA-N
XLogP1.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(trifluoromethyl)-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methylamino]benzenesulfonamide
CID 133343755
3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]butanamide
CID 119772778
3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]benzamide;hydrochloride
CID 119772767
4-methylsulfonyl-2-nitro-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]aniline
CID 133286596
(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide
CID 119335838
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119805118
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 119805107
2-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methylamino]pyridine-3-sulfonamide
CID 139000508
1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide
CID 86876143
2-amino-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pentanamide
CID 119772788
2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]acetamide;hydrochloride
CID 119335841
3,5-dimethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 71886504

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(sulfamoylamino)methyl]cyclopropyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-[1-[(sulfamoylamino)methyl]cyclopropyl]-3-(trifluoromethyl)benzene (CID 154834670) is 1-[1-[(sulfamoylamino)methyl]cyclopropyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[1-[(sulfamoylamino)methyl]cyclopropyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-[1-[(sulfamoylamino)methyl]cyclopropyl]-3-(trifluoromethyl)benzene is NS(=O)(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[1-[(sulfamoylamino)methyl]cyclopropyl]-3-(trifluoromethyl)benzene?
The InChIKey is QHDMIYOOXUKRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c12-11(13,14)9-3-1-2-8(6-9)10(4-5-10)7-16-19(15,17)18/h1-3,6,16H,4-5,7H2,(H2,15,17,18).
What are the key properties of 1-[1-[(sulfamoylamino)methyl]cyclopropyl]-3-(trifluoromethyl)benzene?
1-[1-[(sulfamoylamino)methyl]cyclopropyl]-3-(trifluoromethyl)benzene has a molecular weight of 294.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(sulfamoylamino)methyl]cyclopropyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 154834670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).